USER MOD reduce.3.24.130724 H: found=0, std=0, add=950, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 948 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 37 CYS SG : rot 151:sc= -0.855 USER MOD Set 1.2: A 41 GLN :FLIP amide:sc= -1.04 F(o=-2.6!,f=-1.9) USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.0722 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0.00738 USER MOD Single : A 6 SER OG : rot 28:sc= 0.599 USER MOD Single : A 8 ASN : amide:sc= -0.44 K(o=-0.44,f=-4.2!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0525 USER MOD Single : A 16 ASN : amide:sc= -0.352 K(o=-0.35,f=-2.3!) USER MOD Single : A 26 MET CE :methyl -142:sc= -0.165 (180deg=-0.675) USER MOD Single : A 30 TYR OH : rot -107:sc= 0.877 USER MOD Single : A 34 CYS SG : rot 180:sc= -0.982 USER MOD Single : A 38 GLN : amide:sc= -0.968 X(o=-0.97,f=-1.4) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0.404 X(o=0.4,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.111 K(o=-0.11,f=-0.74) USER MOD Single : A 70 SER OG : rot -59:sc= 0.123 USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 THR OG1 : rot 132:sc= 1.13 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= -0.101 X(o=-0.1,f=-0.44) USER MOD Single : A 84 CYS SG : rot 103:sc= -0.447 USER MOD Single : A 85 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0291) USER MOD Single : A 92 TYR OH : rot 42:sc= 1.18 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= -1.03 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -0.0777 X(o=-0.078,f=-0.078) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 59:sc= 0.916 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.190 -15.869 8.325 1.00 0.00 N ATOM 2 CA GLY A 1 -9.629 -16.036 8.226 1.00 0.00 C ATOM 3 C GLY A 1 -10.134 -15.877 6.805 1.00 0.00 C ATOM 4 O GLY A 1 -9.345 -15.756 5.868 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.751 -16.779 8.571 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.815 -15.539 7.413 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.972 -15.169 9.063 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.904 -17.023 8.598 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.122 -15.305 8.867 1.00 0.00 H new ATOM 8 N SER A 2 -11.454 -15.880 6.645 1.00 0.00 N ATOM 9 CA SER A 2 -12.063 -15.740 5.328 1.00 0.00 C ATOM 10 C SER A 2 -12.767 -14.393 5.195 1.00 0.00 C ATOM 11 O SER A 2 -13.577 -14.017 6.042 1.00 0.00 O ATOM 12 CB SER A 2 -13.059 -16.875 5.081 1.00 0.00 C ATOM 13 OG SER A 2 -13.301 -17.049 3.695 1.00 0.00 O ATOM 0 H SER A 2 -12.121 -15.978 7.410 1.00 0.00 H new ATOM 0 HA SER A 2 -11.271 -15.791 4.581 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.672 -17.802 5.505 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.997 -16.658 5.593 1.00 0.00 H new ATOM 0 HG SER A 2 -13.939 -17.781 3.564 1.00 0.00 H new ATOM 19 N SER A 3 -12.451 -13.671 4.124 1.00 0.00 N ATOM 20 CA SER A 3 -13.049 -12.364 3.881 1.00 0.00 C ATOM 21 C SER A 3 -13.331 -12.163 2.394 1.00 0.00 C ATOM 22 O SER A 3 -12.552 -12.585 1.541 1.00 0.00 O ATOM 23 CB SER A 3 -12.127 -11.254 4.391 1.00 0.00 C ATOM 24 OG SER A 3 -10.838 -11.357 3.812 1.00 0.00 O ATOM 0 H SER A 3 -11.785 -13.969 3.412 1.00 0.00 H new ATOM 0 HA SER A 3 -13.994 -12.319 4.422 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.559 -10.281 4.155 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.047 -11.313 5.477 1.00 0.00 H new ATOM 0 HG SER A 3 -10.268 -10.636 4.152 1.00 0.00 H new ATOM 30 N GLY A 4 -14.452 -11.515 2.093 1.00 0.00 N ATOM 31 CA GLY A 4 -14.818 -11.270 0.710 1.00 0.00 C ATOM 32 C GLY A 4 -15.567 -9.964 0.532 1.00 0.00 C ATOM 33 O GLY A 4 -16.591 -9.916 -0.150 1.00 0.00 O ATOM 0 H GLY A 4 -15.113 -11.155 2.782 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.918 -11.256 0.096 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.436 -12.092 0.350 1.00 0.00 H new ATOM 37 N SER A 5 -15.056 -8.902 1.146 1.00 0.00 N ATOM 38 CA SER A 5 -15.687 -7.590 1.057 1.00 0.00 C ATOM 39 C SER A 5 -15.248 -6.862 -0.210 1.00 0.00 C ATOM 40 O SER A 5 -14.420 -7.362 -0.972 1.00 0.00 O ATOM 41 CB SER A 5 -15.342 -6.749 2.287 1.00 0.00 C ATOM 42 OG SER A 5 -16.200 -5.627 2.395 1.00 0.00 O ATOM 0 H SER A 5 -14.207 -8.924 1.711 1.00 0.00 H new ATOM 0 HA SER A 5 -16.767 -7.736 1.017 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.425 -7.361 3.185 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.307 -6.414 2.224 1.00 0.00 H new ATOM 0 HG SER A 5 -15.960 -5.107 3.190 1.00 0.00 H new ATOM 48 N SER A 6 -15.809 -5.677 -0.429 1.00 0.00 N ATOM 49 CA SER A 6 -15.480 -4.880 -1.605 1.00 0.00 C ATOM 50 C SER A 6 -14.047 -4.364 -1.527 1.00 0.00 C ATOM 51 O SER A 6 -13.729 -3.501 -0.709 1.00 0.00 O ATOM 52 CB SER A 6 -16.451 -3.706 -1.739 1.00 0.00 C ATOM 53 OG SER A 6 -16.418 -2.882 -0.587 1.00 0.00 O ATOM 0 H SER A 6 -16.494 -5.248 0.193 1.00 0.00 H new ATOM 0 HA SER A 6 -15.570 -5.518 -2.484 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.194 -3.116 -2.619 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.462 -4.082 -1.892 1.00 0.00 H new ATOM 0 HG SER A 6 -15.533 -2.938 -0.170 1.00 0.00 H new ATOM 59 N GLY A 7 -13.184 -4.899 -2.385 1.00 0.00 N ATOM 60 CA GLY A 7 -11.794 -4.481 -2.398 1.00 0.00 C ATOM 61 C GLY A 7 -10.945 -5.261 -1.414 1.00 0.00 C ATOM 62 O GLY A 7 -11.438 -5.716 -0.383 1.00 0.00 O ATOM 0 H GLY A 7 -13.423 -5.615 -3.072 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.389 -4.607 -3.402 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.735 -3.419 -2.162 1.00 0.00 H new ATOM 66 N ASN A 8 -9.664 -5.418 -1.734 1.00 0.00 N ATOM 67 CA ASN A 8 -8.745 -6.151 -0.872 1.00 0.00 C ATOM 68 C ASN A 8 -8.010 -5.203 0.071 1.00 0.00 C ATOM 69 O ASN A 8 -7.574 -5.599 1.152 1.00 0.00 O ATOM 70 CB ASN A 8 -7.736 -6.933 -1.715 1.00 0.00 C ATOM 71 CG ASN A 8 -8.408 -7.835 -2.732 1.00 0.00 C ATOM 72 OD1 ASN A 8 -9.630 -7.821 -2.879 1.00 0.00 O ATOM 73 ND2 ASN A 8 -7.610 -8.626 -3.440 1.00 0.00 N ATOM 0 H ASN A 8 -9.240 -5.047 -2.584 1.00 0.00 H new ATOM 0 HA ASN A 8 -9.328 -6.851 -0.273 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -7.079 -6.233 -2.232 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -7.108 -7.535 -1.059 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -8.005 -9.255 -4.139 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -6.602 -8.604 -3.285 1.00 0.00 H new ATOM 80 N VAL A 9 -7.877 -3.948 -0.346 1.00 0.00 N ATOM 81 CA VAL A 9 -7.197 -2.942 0.461 1.00 0.00 C ATOM 82 C VAL A 9 -8.077 -2.477 1.616 1.00 0.00 C ATOM 83 O VAL A 9 -9.288 -2.314 1.460 1.00 0.00 O ATOM 84 CB VAL A 9 -6.793 -1.721 -0.387 1.00 0.00 C ATOM 85 CG1 VAL A 9 -6.069 -0.693 0.469 1.00 0.00 C ATOM 86 CG2 VAL A 9 -5.930 -2.151 -1.563 1.00 0.00 C ATOM 0 H VAL A 9 -8.231 -3.604 -1.238 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.298 -3.411 0.860 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.698 -1.258 -0.781 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.791 0.162 -0.147 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.725 -0.363 1.274 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.171 -1.141 0.894 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.654 -1.276 -2.151 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.028 -2.639 -1.193 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.488 -2.847 -2.189 1.00 0.00 H new ATOM 96 N ARG A 10 -7.461 -2.263 2.774 1.00 0.00 N ATOM 97 CA ARG A 10 -8.189 -1.817 3.956 1.00 0.00 C ATOM 98 C ARG A 10 -7.984 -0.323 4.188 1.00 0.00 C ATOM 99 O ARG A 10 -6.923 0.223 3.885 1.00 0.00 O ATOM 100 CB ARG A 10 -7.735 -2.603 5.187 1.00 0.00 C ATOM 101 CG ARG A 10 -8.437 -3.941 5.349 1.00 0.00 C ATOM 102 CD ARG A 10 -8.777 -4.220 6.804 1.00 0.00 C ATOM 103 NE ARG A 10 -9.048 -5.635 7.042 1.00 0.00 N ATOM 104 CZ ARG A 10 -9.846 -6.079 8.007 1.00 0.00 C ATOM 105 NH1 ARG A 10 -10.448 -5.222 8.820 1.00 0.00 N ATOM 106 NH2 ARG A 10 -10.043 -7.382 8.160 1.00 0.00 N ATOM 0 H ARG A 10 -6.460 -2.391 2.919 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.251 -1.999 3.789 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -6.660 -2.772 5.124 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -7.911 -2.000 6.078 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -9.350 -3.948 4.753 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.799 -4.737 4.965 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -7.950 -3.898 7.437 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -9.648 -3.631 7.092 1.00 0.00 H new ATOM 0 HE ARG A 10 -8.600 -6.320 6.434 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -10.299 -4.219 8.705 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -11.060 -5.565 9.560 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -9.582 -8.044 7.536 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -10.656 -7.722 8.901 1.00 0.00 H new ATOM 120 N VAL A 11 -9.006 0.332 4.729 1.00 0.00 N ATOM 121 CA VAL A 11 -8.938 1.763 5.003 1.00 0.00 C ATOM 122 C VAL A 11 -8.641 2.027 6.474 1.00 0.00 C ATOM 123 O VAL A 11 -9.544 2.021 7.311 1.00 0.00 O ATOM 124 CB VAL A 11 -10.252 2.470 4.621 1.00 0.00 C ATOM 125 CG1 VAL A 11 -10.167 3.957 4.928 1.00 0.00 C ATOM 126 CG2 VAL A 11 -10.575 2.238 3.153 1.00 0.00 C ATOM 0 H VAL A 11 -9.891 -0.105 4.986 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.128 2.164 4.394 1.00 0.00 H new ATOM 0 HB VAL A 11 -11.059 2.046 5.218 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.104 4.440 4.652 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -9.986 4.099 5.994 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.349 4.400 4.359 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.507 2.745 2.901 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.768 2.634 2.536 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.682 1.169 2.969 1.00 0.00 H new ATOM 136 N ILE A 12 -7.369 2.258 6.783 1.00 0.00 N ATOM 137 CA ILE A 12 -6.953 2.526 8.154 1.00 0.00 C ATOM 138 C ILE A 12 -7.230 3.975 8.539 1.00 0.00 C ATOM 139 O ILE A 12 -6.676 4.904 7.950 1.00 0.00 O ATOM 140 CB ILE A 12 -5.455 2.231 8.355 1.00 0.00 C ATOM 141 CG1 ILE A 12 -5.143 0.782 7.975 1.00 0.00 C ATOM 142 CG2 ILE A 12 -5.049 2.506 9.795 1.00 0.00 C ATOM 143 CD1 ILE A 12 -5.800 -0.235 8.881 1.00 0.00 C ATOM 0 H ILE A 12 -6.609 2.265 6.102 1.00 0.00 H new ATOM 0 HA ILE A 12 -7.535 1.864 8.796 1.00 0.00 H new ATOM 0 HB ILE A 12 -4.880 2.890 7.704 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.467 0.606 6.949 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.063 0.633 7.998 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.988 2.293 9.921 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -5.240 3.552 10.033 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.629 1.870 10.464 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.535 -1.240 8.552 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -5.457 -0.086 9.905 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.882 -0.113 8.840 1.00 0.00 H new ATOM 155 N THR A 13 -8.091 4.162 9.535 1.00 0.00 N ATOM 156 CA THR A 13 -8.442 5.498 10.001 1.00 0.00 C ATOM 157 C THR A 13 -7.575 5.914 11.183 1.00 0.00 C ATOM 158 O THR A 13 -6.623 5.220 11.541 1.00 0.00 O ATOM 159 CB THR A 13 -9.924 5.578 10.413 1.00 0.00 C ATOM 160 OG1 THR A 13 -10.161 4.743 11.552 1.00 0.00 O ATOM 161 CG2 THR A 13 -10.829 5.150 9.267 1.00 0.00 C ATOM 0 H THR A 13 -8.558 3.405 10.034 1.00 0.00 H new ATOM 0 HA THR A 13 -8.267 6.179 9.168 1.00 0.00 H new ATOM 0 HB THR A 13 -10.152 6.613 10.667 1.00 0.00 H new ATOM 0 HG1 THR A 13 -11.105 4.800 11.809 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.870 5.215 9.582 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.667 5.806 8.411 1.00 0.00 H new ATOM 0 HG23 THR A 13 -10.598 4.122 8.986 1.00 0.00 H new ATOM 169 N ASP A 14 -7.909 7.050 11.785 1.00 0.00 N ATOM 170 CA ASP A 14 -7.160 7.557 12.929 1.00 0.00 C ATOM 171 C ASP A 14 -7.365 6.667 14.151 1.00 0.00 C ATOM 172 O ASP A 14 -6.803 6.920 15.216 1.00 0.00 O ATOM 173 CB ASP A 14 -7.588 8.990 13.250 1.00 0.00 C ATOM 174 CG ASP A 14 -7.132 9.436 14.626 1.00 0.00 C ATOM 175 OD1 ASP A 14 -5.944 9.791 14.772 1.00 0.00 O ATOM 176 OD2 ASP A 14 -7.964 9.431 15.557 1.00 0.00 O ATOM 0 H ASP A 14 -8.693 7.637 11.500 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.101 7.550 12.671 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.179 9.665 12.498 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -8.674 9.064 13.188 1.00 0.00 H new ATOM 181 N GLU A 15 -8.174 5.624 13.988 1.00 0.00 N ATOM 182 CA GLU A 15 -8.453 4.698 15.079 1.00 0.00 C ATOM 183 C GLU A 15 -7.882 3.315 14.778 1.00 0.00 C ATOM 184 O GLU A 15 -7.248 2.695 15.631 1.00 0.00 O ATOM 185 CB GLU A 15 -9.961 4.597 15.319 1.00 0.00 C ATOM 186 CG GLU A 15 -10.335 3.674 16.466 1.00 0.00 C ATOM 187 CD GLU A 15 -10.112 2.211 16.134 1.00 0.00 C ATOM 188 OE1 GLU A 15 -10.449 1.802 15.003 1.00 0.00 O ATOM 189 OE2 GLU A 15 -9.602 1.475 17.005 1.00 0.00 O ATOM 0 H GLU A 15 -8.647 5.400 13.112 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.974 5.083 15.979 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.355 5.593 15.522 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.442 4.243 14.407 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.747 3.937 17.345 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -11.382 3.828 16.725 1.00 0.00 H new ATOM 196 N ASN A 16 -8.111 2.839 13.559 1.00 0.00 N ATOM 197 CA ASN A 16 -7.620 1.529 13.145 1.00 0.00 C ATOM 198 C ASN A 16 -6.098 1.470 13.222 1.00 0.00 C ATOM 199 O ASN A 16 -5.515 0.395 13.371 1.00 0.00 O ATOM 200 CB ASN A 16 -8.083 1.215 11.721 1.00 0.00 C ATOM 201 CG ASN A 16 -9.571 0.931 11.646 1.00 0.00 C ATOM 202 OD1 ASN A 16 -10.362 1.509 12.391 1.00 0.00 O ATOM 203 ND2 ASN A 16 -9.958 0.038 10.743 1.00 0.00 N ATOM 0 H ASN A 16 -8.633 3.340 12.840 1.00 0.00 H new ATOM 0 HA ASN A 16 -8.029 0.783 13.826 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -7.843 2.056 11.070 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -7.532 0.353 11.344 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -10.947 -0.193 10.646 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -9.267 -0.417 10.146 1.00 0.00 H new ATOM 210 N TRP A 17 -5.460 2.630 13.119 1.00 0.00 N ATOM 211 CA TRP A 17 -4.005 2.710 13.178 1.00 0.00 C ATOM 212 C TRP A 17 -3.444 1.704 14.176 1.00 0.00 C ATOM 213 O TRP A 17 -2.481 0.995 13.883 1.00 0.00 O ATOM 214 CB TRP A 17 -3.566 4.125 13.560 1.00 0.00 C ATOM 215 CG TRP A 17 -3.465 4.336 15.040 1.00 0.00 C ATOM 216 CD1 TRP A 17 -4.361 4.989 15.838 1.00 0.00 C ATOM 217 CD2 TRP A 17 -2.408 3.894 15.899 1.00 0.00 C ATOM 218 NE1 TRP A 17 -3.924 4.980 17.141 1.00 0.00 N ATOM 219 CE2 TRP A 17 -2.729 4.314 17.205 1.00 0.00 C ATOM 220 CE3 TRP A 17 -1.223 3.184 15.692 1.00 0.00 C ATOM 221 CZ2 TRP A 17 -1.907 4.046 18.295 1.00 0.00 C ATOM 222 CZ3 TRP A 17 -0.408 2.919 16.776 1.00 0.00 C ATOM 223 CH2 TRP A 17 -0.752 3.348 18.064 1.00 0.00 C ATOM 0 H TRP A 17 -5.927 3.528 12.994 1.00 0.00 H new ATOM 0 HA TRP A 17 -3.613 2.470 12.190 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -2.598 4.333 13.104 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -4.275 4.842 13.145 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -5.278 5.445 15.495 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -4.411 5.401 17.932 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -0.949 2.848 14.703 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -2.171 4.377 19.289 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 0.511 2.371 16.627 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -0.094 3.124 18.891 1.00 0.00 H new ATOM 234 N ARG A 18 -4.052 1.646 15.357 1.00 0.00 N ATOM 235 CA ARG A 18 -3.611 0.727 16.399 1.00 0.00 C ATOM 236 C ARG A 18 -3.343 -0.660 15.822 1.00 0.00 C ATOM 237 O ARG A 18 -2.307 -1.265 16.093 1.00 0.00 O ATOM 238 CB ARG A 18 -4.663 0.636 17.506 1.00 0.00 C ATOM 239 CG ARG A 18 -4.966 1.969 18.169 1.00 0.00 C ATOM 240 CD ARG A 18 -5.636 1.780 19.521 1.00 0.00 C ATOM 241 NE ARG A 18 -6.974 1.210 19.395 1.00 0.00 N ATOM 242 CZ ARG A 18 -7.889 1.263 20.356 1.00 0.00 C ATOM 243 NH1 ARG A 18 -7.612 1.856 21.509 1.00 0.00 N ATOM 244 NH2 ARG A 18 -9.086 0.721 20.165 1.00 0.00 N ATOM 0 H ARG A 18 -4.851 2.225 15.616 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.682 1.112 16.820 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.584 0.230 17.088 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.320 -0.068 18.264 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.041 2.532 18.296 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.613 2.560 17.521 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.022 1.128 20.142 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.698 2.741 20.032 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.220 0.745 18.521 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.694 2.273 21.660 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.317 1.895 22.245 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -9.303 0.263 19.280 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.788 0.762 20.904 1.00 0.00 H new ATOM 258 N GLU A 19 -4.285 -1.157 15.026 1.00 0.00 N ATOM 259 CA GLU A 19 -4.150 -2.473 14.413 1.00 0.00 C ATOM 260 C GLU A 19 -2.780 -2.630 13.759 1.00 0.00 C ATOM 261 O GLU A 19 -2.203 -3.718 13.756 1.00 0.00 O ATOM 262 CB GLU A 19 -5.252 -2.691 13.374 1.00 0.00 C ATOM 263 CG GLU A 19 -6.570 -3.153 13.972 1.00 0.00 C ATOM 264 CD GLU A 19 -6.607 -4.648 14.220 1.00 0.00 C ATOM 265 OE1 GLU A 19 -5.863 -5.381 13.534 1.00 0.00 O ATOM 266 OE2 GLU A 19 -7.378 -5.086 15.099 1.00 0.00 O ATOM 0 H GLU A 19 -5.149 -0.668 14.791 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.247 -3.223 15.198 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.416 -1.761 12.830 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.914 -3.430 12.647 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.742 -2.628 14.912 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.384 -2.880 13.301 1.00 0.00 H new ATOM 273 N LEU A 20 -2.267 -1.538 13.205 1.00 0.00 N ATOM 274 CA LEU A 20 -0.965 -1.553 12.546 1.00 0.00 C ATOM 275 C LEU A 20 0.109 -2.107 13.477 1.00 0.00 C ATOM 276 O LEU A 20 1.050 -2.767 13.033 1.00 0.00 O ATOM 277 CB LEU A 20 -0.585 -0.143 12.092 1.00 0.00 C ATOM 278 CG LEU A 20 -1.597 0.569 11.194 1.00 0.00 C ATOM 279 CD1 LEU A 20 -1.138 1.987 10.891 1.00 0.00 C ATOM 280 CD2 LEU A 20 -1.808 -0.212 9.905 1.00 0.00 C ATOM 0 H LEU A 20 -2.732 -0.630 13.199 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.034 -2.202 11.673 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.421 0.470 12.978 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.366 -0.198 11.562 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.548 0.623 11.723 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.871 2.478 10.251 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.039 2.544 11.823 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.174 1.957 10.382 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.531 0.309 9.278 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.861 -0.298 9.372 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.183 -1.208 10.140 1.00 0.00 H new ATOM 292 N LEU A 21 -0.038 -1.837 14.769 1.00 0.00 N ATOM 293 CA LEU A 21 0.918 -2.310 15.764 1.00 0.00 C ATOM 294 C LEU A 21 0.924 -3.834 15.832 1.00 0.00 C ATOM 295 O LEU A 21 1.910 -4.442 16.246 1.00 0.00 O ATOM 296 CB LEU A 21 0.585 -1.728 17.138 1.00 0.00 C ATOM 297 CG LEU A 21 0.609 -0.203 17.245 1.00 0.00 C ATOM 298 CD1 LEU A 21 -0.029 0.251 18.549 1.00 0.00 C ATOM 299 CD2 LEU A 21 2.035 0.317 17.138 1.00 0.00 C ATOM 0 H LEU A 21 -0.811 -1.293 15.153 1.00 0.00 H new ATOM 0 HA LEU A 21 1.911 -1.974 15.466 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.406 -2.077 17.428 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.290 -2.134 17.863 1.00 0.00 H new ATOM 0 HG LEU A 21 0.030 0.209 16.418 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.003 1.339 18.607 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.064 -0.090 18.586 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.522 -0.171 19.390 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.033 1.404 17.216 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.637 -0.103 17.944 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.458 0.023 16.177 1.00 0.00 H new ATOM 311 N GLU A 22 -0.183 -4.444 15.420 1.00 0.00 N ATOM 312 CA GLU A 22 -0.304 -5.897 15.433 1.00 0.00 C ATOM 313 C GLU A 22 -0.071 -6.475 14.040 1.00 0.00 C ATOM 314 O GLU A 22 -0.650 -6.011 13.059 1.00 0.00 O ATOM 315 CB GLU A 22 -1.685 -6.311 15.945 1.00 0.00 C ATOM 316 CG GLU A 22 -1.996 -5.800 17.341 1.00 0.00 C ATOM 317 CD GLU A 22 -1.572 -6.771 18.426 1.00 0.00 C ATOM 318 OE1 GLU A 22 -0.369 -6.797 18.761 1.00 0.00 O ATOM 319 OE2 GLU A 22 -2.442 -7.505 18.939 1.00 0.00 O ATOM 0 H GLU A 22 -1.008 -3.955 15.073 1.00 0.00 H new ATOM 0 HA GLU A 22 0.458 -6.294 16.104 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.444 -5.942 15.255 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.753 -7.399 15.942 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.492 -4.846 17.495 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.066 -5.612 17.425 1.00 0.00 H new ATOM 326 N GLY A 23 0.784 -7.491 13.963 1.00 0.00 N ATOM 327 CA GLY A 23 1.080 -8.116 12.687 1.00 0.00 C ATOM 328 C GLY A 23 1.600 -7.126 11.664 1.00 0.00 C ATOM 329 O GLY A 23 1.682 -5.928 11.935 1.00 0.00 O ATOM 0 H GLY A 23 1.276 -7.892 14.761 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.819 -8.904 12.834 1.00 0.00 H new ATOM 0 HA3 GLY A 23 0.179 -8.593 12.301 1.00 0.00 H new ATOM 333 N ASP A 24 1.955 -7.627 10.486 1.00 0.00 N ATOM 334 CA ASP A 24 2.472 -6.778 9.418 1.00 0.00 C ATOM 335 C ASP A 24 1.350 -5.966 8.779 1.00 0.00 C ATOM 336 O ASP A 24 0.212 -6.426 8.687 1.00 0.00 O ATOM 337 CB ASP A 24 3.173 -7.628 8.357 1.00 0.00 C ATOM 338 CG ASP A 24 4.604 -7.958 8.732 1.00 0.00 C ATOM 339 OD1 ASP A 24 5.458 -7.049 8.672 1.00 0.00 O ATOM 340 OD2 ASP A 24 4.871 -9.126 9.084 1.00 0.00 O ATOM 0 H ASP A 24 1.894 -8.617 10.246 1.00 0.00 H new ATOM 0 HA ASP A 24 3.194 -6.086 9.853 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.616 -8.554 8.211 1.00 0.00 H new ATOM 0 HB3 ASP A 24 3.163 -7.097 7.405 1.00 0.00 H new ATOM 345 N TRP A 25 1.679 -4.756 8.340 1.00 0.00 N ATOM 346 CA TRP A 25 0.698 -3.879 7.711 1.00 0.00 C ATOM 347 C TRP A 25 1.363 -2.966 6.687 1.00 0.00 C ATOM 348 O TRP A 25 2.283 -2.217 7.015 1.00 0.00 O ATOM 349 CB TRP A 25 -0.021 -3.041 8.769 1.00 0.00 C ATOM 350 CG TRP A 25 -1.146 -3.770 9.439 1.00 0.00 C ATOM 351 CD1 TRP A 25 -1.049 -4.651 10.478 1.00 0.00 C ATOM 352 CD2 TRP A 25 -2.538 -3.681 9.115 1.00 0.00 C ATOM 353 NE1 TRP A 25 -2.296 -5.115 10.820 1.00 0.00 N ATOM 354 CE2 TRP A 25 -3.227 -4.535 9.999 1.00 0.00 C ATOM 355 CE3 TRP A 25 -3.270 -2.962 8.166 1.00 0.00 C ATOM 356 CZ2 TRP A 25 -4.610 -4.688 9.959 1.00 0.00 C ATOM 357 CZ3 TRP A 25 -4.642 -3.116 8.127 1.00 0.00 C ATOM 358 CH2 TRP A 25 -5.301 -3.972 9.019 1.00 0.00 C ATOM 0 H TRP A 25 2.617 -4.360 8.408 1.00 0.00 H new ATOM 0 HA TRP A 25 -0.032 -4.503 7.195 1.00 0.00 H new ATOM 0 HB2 TRP A 25 0.699 -2.726 9.524 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -0.410 -2.136 8.303 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -0.127 -4.941 10.960 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -2.496 -5.783 11.564 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -2.772 -2.298 7.475 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -5.120 -5.348 10.645 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -5.217 -2.567 7.396 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -6.375 -4.069 8.964 1.00 0.00 H new ATOM 369 N MET A 26 0.891 -3.032 5.446 1.00 0.00 N ATOM 370 CA MET A 26 1.441 -2.209 4.375 1.00 0.00 C ATOM 371 C MET A 26 0.547 -1.003 4.104 1.00 0.00 C ATOM 372 O MET A 26 -0.560 -1.144 3.582 1.00 0.00 O ATOM 373 CB MET A 26 1.602 -3.037 3.098 1.00 0.00 C ATOM 374 CG MET A 26 2.887 -3.846 3.057 1.00 0.00 C ATOM 375 SD MET A 26 4.360 -2.808 2.982 1.00 0.00 S ATOM 376 CE MET A 26 4.553 -2.621 1.211 1.00 0.00 C ATOM 0 H MET A 26 0.130 -3.646 5.158 1.00 0.00 H new ATOM 0 HA MET A 26 2.420 -1.850 4.692 1.00 0.00 H new ATOM 0 HB2 MET A 26 0.753 -3.714 3.004 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.575 -2.370 2.236 1.00 0.00 H new ATOM 0 HG2 MET A 26 2.940 -4.482 3.941 1.00 0.00 H new ATOM 0 HG3 MET A 26 2.868 -4.507 2.190 1.00 0.00 H new ATOM 0 HE1 MET A 26 5.613 -2.642 0.956 1.00 0.00 H new ATOM 0 HE2 MET A 26 4.041 -3.437 0.701 1.00 0.00 H new ATOM 0 HE3 MET A 26 4.123 -1.670 0.897 1.00 0.00 H new ATOM 386 N ILE A 27 1.034 0.181 4.461 1.00 0.00 N ATOM 387 CA ILE A 27 0.279 1.410 4.255 1.00 0.00 C ATOM 388 C ILE A 27 0.884 2.245 3.131 1.00 0.00 C ATOM 389 O ILE A 27 2.081 2.162 2.859 1.00 0.00 O ATOM 390 CB ILE A 27 0.226 2.260 5.538 1.00 0.00 C ATOM 391 CG1 ILE A 27 -0.165 1.391 6.735 1.00 0.00 C ATOM 392 CG2 ILE A 27 -0.754 3.412 5.371 1.00 0.00 C ATOM 393 CD1 ILE A 27 0.306 1.943 8.063 1.00 0.00 C ATOM 0 H ILE A 27 1.948 0.315 4.894 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.734 1.116 3.982 1.00 0.00 H new ATOM 0 HB ILE A 27 1.217 2.676 5.722 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.250 1.286 6.759 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.249 0.392 6.599 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.780 4.003 6.286 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.436 4.043 4.541 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.749 3.017 5.166 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.007 1.276 8.866 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.393 2.022 8.059 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.129 2.930 8.222 1.00 0.00 H new ATOM 405 N GLU A 28 0.048 3.050 2.483 1.00 0.00 N ATOM 406 CA GLU A 28 0.501 3.901 1.389 1.00 0.00 C ATOM 407 C GLU A 28 -0.271 5.216 1.367 1.00 0.00 C ATOM 408 O GLU A 28 -1.453 5.250 1.022 1.00 0.00 O ATOM 409 CB GLU A 28 0.338 3.178 0.050 1.00 0.00 C ATOM 410 CG GLU A 28 -1.097 2.784 -0.258 1.00 0.00 C ATOM 411 CD GLU A 28 -1.834 3.841 -1.056 1.00 0.00 C ATOM 412 OE1 GLU A 28 -1.162 4.669 -1.705 1.00 0.00 O ATOM 413 OE2 GLU A 28 -3.083 3.841 -1.030 1.00 0.00 O ATOM 0 H GLU A 28 -0.946 3.131 2.697 1.00 0.00 H new ATOM 0 HA GLU A 28 1.556 4.122 1.548 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.709 3.821 -0.748 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.959 2.282 0.052 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.101 1.846 -0.814 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.629 2.603 0.676 1.00 0.00 H new ATOM 420 N PHE A 29 0.404 6.299 1.737 1.00 0.00 N ATOM 421 CA PHE A 29 -0.218 7.618 1.762 1.00 0.00 C ATOM 422 C PHE A 29 -0.343 8.186 0.352 1.00 0.00 C ATOM 423 O PHE A 29 0.658 8.494 -0.297 1.00 0.00 O ATOM 424 CB PHE A 29 0.595 8.572 2.639 1.00 0.00 C ATOM 425 CG PHE A 29 0.540 8.236 4.102 1.00 0.00 C ATOM 426 CD1 PHE A 29 1.319 7.215 4.622 1.00 0.00 C ATOM 427 CD2 PHE A 29 -0.291 8.941 4.957 1.00 0.00 C ATOM 428 CE1 PHE A 29 1.271 6.904 5.967 1.00 0.00 C ATOM 429 CE2 PHE A 29 -0.343 8.635 6.304 1.00 0.00 C ATOM 430 CZ PHE A 29 0.438 7.614 6.809 1.00 0.00 C ATOM 0 H PHE A 29 1.383 6.289 2.024 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.218 7.513 2.183 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.634 8.558 2.310 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.228 9.588 2.494 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.972 6.656 3.968 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.905 9.739 4.567 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.884 6.106 6.360 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.994 9.194 6.961 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.397 7.371 7.861 1.00 0.00 H new ATOM 440 N TYR A 30 -1.578 8.323 -0.117 1.00 0.00 N ATOM 441 CA TYR A 30 -1.835 8.851 -1.451 1.00 0.00 C ATOM 442 C TYR A 30 -2.727 10.087 -1.385 1.00 0.00 C ATOM 443 O TYR A 30 -3.219 10.455 -0.319 1.00 0.00 O ATOM 444 CB TYR A 30 -2.490 7.783 -2.329 1.00 0.00 C ATOM 445 CG TYR A 30 -3.975 7.631 -2.092 1.00 0.00 C ATOM 446 CD1 TYR A 30 -4.884 8.508 -2.670 1.00 0.00 C ATOM 447 CD2 TYR A 30 -4.469 6.610 -1.289 1.00 0.00 C ATOM 448 CE1 TYR A 30 -6.242 8.373 -2.456 1.00 0.00 C ATOM 449 CE2 TYR A 30 -5.826 6.466 -1.070 1.00 0.00 C ATOM 450 CZ TYR A 30 -6.708 7.351 -1.655 1.00 0.00 C ATOM 451 OH TYR A 30 -8.060 7.212 -1.440 1.00 0.00 O ATOM 0 H TYR A 30 -2.417 8.076 0.407 1.00 0.00 H new ATOM 0 HA TYR A 30 -0.879 9.137 -1.890 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -2.322 8.033 -3.377 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.002 6.826 -2.147 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.523 9.309 -3.298 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -3.781 5.917 -0.828 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -6.935 9.064 -2.913 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -6.194 5.666 -0.445 1.00 0.00 H new ATOM 0 HH TYR A 30 -8.275 7.485 -0.524 1.00 0.00 H new ATOM 461 N ALA A 31 -2.932 10.724 -2.534 1.00 0.00 N ATOM 462 CA ALA A 31 -3.766 11.916 -2.609 1.00 0.00 C ATOM 463 C ALA A 31 -4.532 11.969 -3.926 1.00 0.00 C ATOM 464 O ALA A 31 -4.004 11.652 -4.992 1.00 0.00 O ATOM 465 CB ALA A 31 -2.916 13.167 -2.440 1.00 0.00 C ATOM 0 H ALA A 31 -2.531 10.433 -3.426 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.493 11.871 -1.798 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.552 14.050 -2.498 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.419 13.141 -1.470 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.167 13.207 -3.230 1.00 0.00 H new ATOM 471 N PRO A 32 -5.808 12.377 -3.854 1.00 0.00 N ATOM 472 CA PRO A 32 -6.674 12.480 -5.032 1.00 0.00 C ATOM 473 C PRO A 32 -6.259 13.618 -5.958 1.00 0.00 C ATOM 474 O PRO A 32 -6.711 13.697 -7.101 1.00 0.00 O ATOM 475 CB PRO A 32 -8.056 12.754 -4.434 1.00 0.00 C ATOM 476 CG PRO A 32 -7.779 13.390 -3.116 1.00 0.00 C ATOM 477 CD PRO A 32 -6.503 12.770 -2.617 1.00 0.00 C ATOM 0 HA PRO A 32 -6.632 11.582 -5.648 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -8.642 13.412 -5.076 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.626 11.833 -4.317 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -7.674 14.470 -3.218 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -8.597 13.214 -2.418 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.914 13.477 -2.033 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.698 11.911 -1.975 1.00 0.00 H new ATOM 485 N TRP A 33 -5.398 14.497 -5.459 1.00 0.00 N ATOM 486 CA TRP A 33 -4.922 15.631 -6.244 1.00 0.00 C ATOM 487 C TRP A 33 -3.434 15.495 -6.550 1.00 0.00 C ATOM 488 O TRP A 33 -2.721 16.493 -6.662 1.00 0.00 O ATOM 489 CB TRP A 33 -5.184 16.940 -5.497 1.00 0.00 C ATOM 490 CG TRP A 33 -5.171 16.786 -4.006 1.00 0.00 C ATOM 491 CD1 TRP A 33 -6.242 16.872 -3.163 1.00 0.00 C ATOM 492 CD2 TRP A 33 -4.030 16.521 -3.182 1.00 0.00 C ATOM 493 NE1 TRP A 33 -5.837 16.676 -1.865 1.00 0.00 N ATOM 494 CE2 TRP A 33 -4.484 16.458 -1.850 1.00 0.00 C ATOM 495 CE3 TRP A 33 -2.670 16.329 -3.440 1.00 0.00 C ATOM 496 CZ2 TRP A 33 -3.625 16.213 -0.782 1.00 0.00 C ATOM 497 CZ3 TRP A 33 -1.819 16.086 -2.379 1.00 0.00 C ATOM 498 CH2 TRP A 33 -2.299 16.029 -1.063 1.00 0.00 C ATOM 0 H TRP A 33 -5.015 14.447 -4.515 1.00 0.00 H new ATOM 0 HA TRP A 33 -5.468 15.643 -7.187 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -4.430 17.672 -5.786 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -6.150 17.339 -5.805 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -7.259 17.066 -3.472 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -6.444 16.690 -1.046 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -2.291 16.370 -4.451 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -3.993 16.170 0.233 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -0.766 15.937 -2.567 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -1.608 15.836 -0.255 1.00 0.00 H new ATOM 509 N CYS A 34 -2.973 14.257 -6.684 1.00 0.00 N ATOM 510 CA CYS A 34 -1.569 13.992 -6.977 1.00 0.00 C ATOM 511 C CYS A 34 -1.431 13.021 -8.145 1.00 0.00 C ATOM 512 O CYS A 34 -2.091 11.983 -8.203 1.00 0.00 O ATOM 513 CB CYS A 34 -0.867 13.425 -5.742 1.00 0.00 C ATOM 514 SG CYS A 34 0.933 13.336 -5.892 1.00 0.00 S ATOM 0 H CYS A 34 -3.550 13.421 -6.595 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.097 14.935 -7.254 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.119 14.041 -4.879 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.254 12.426 -5.544 1.00 0.00 H new ATOM 0 HG CYS A 34 1.436 12.846 -4.798 1.00 0.00 H new ATOM 520 N PRO A 35 -0.555 13.365 -9.101 1.00 0.00 N ATOM 521 CA PRO A 35 -0.311 12.537 -10.286 1.00 0.00 C ATOM 522 C PRO A 35 0.417 11.241 -9.948 1.00 0.00 C ATOM 523 O PRO A 35 0.031 10.165 -10.403 1.00 0.00 O ATOM 524 CB PRO A 35 0.567 13.430 -11.167 1.00 0.00 C ATOM 525 CG PRO A 35 1.245 14.353 -10.214 1.00 0.00 C ATOM 526 CD PRO A 35 0.265 14.587 -9.097 1.00 0.00 C ATOM 0 HA PRO A 35 -1.240 12.224 -10.763 1.00 0.00 H new ATOM 0 HB2 PRO A 35 1.291 12.841 -11.731 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.031 13.980 -11.893 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.169 13.915 -9.837 1.00 0.00 H new ATOM 0 HG3 PRO A 35 1.512 15.290 -10.702 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.771 14.728 -8.142 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -0.339 15.477 -9.273 1.00 0.00 H new ATOM 534 N ALA A 36 1.472 11.351 -9.147 1.00 0.00 N ATOM 535 CA ALA A 36 2.252 10.187 -8.747 1.00 0.00 C ATOM 536 C ALA A 36 1.351 9.082 -8.207 1.00 0.00 C ATOM 537 O ALA A 36 1.604 7.897 -8.430 1.00 0.00 O ATOM 538 CB ALA A 36 3.290 10.580 -7.706 1.00 0.00 C ATOM 0 H ALA A 36 1.806 12.235 -8.762 1.00 0.00 H new ATOM 0 HA ALA A 36 2.765 9.803 -9.629 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.866 9.701 -7.416 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.960 11.330 -8.126 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.789 10.991 -6.830 1.00 0.00 H new ATOM 544 N CYS A 37 0.299 9.476 -7.497 1.00 0.00 N ATOM 545 CA CYS A 37 -0.639 8.517 -6.924 1.00 0.00 C ATOM 546 C CYS A 37 -1.442 7.821 -8.018 1.00 0.00 C ATOM 547 O CYS A 37 -1.665 6.612 -7.963 1.00 0.00 O ATOM 548 CB CYS A 37 -1.585 9.219 -5.948 1.00 0.00 C ATOM 549 SG CYS A 37 -3.202 8.426 -5.789 1.00 0.00 S ATOM 0 H CYS A 37 0.075 10.452 -7.305 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.066 7.763 -6.385 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.113 9.258 -4.966 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -1.728 10.249 -6.274 1.00 0.00 H new ATOM 0 HG CYS A 37 -3.676 8.642 -4.598 1.00 0.00 H new ATOM 555 N GLN A 38 -1.874 8.594 -9.010 1.00 0.00 N ATOM 556 CA GLN A 38 -2.655 8.052 -10.115 1.00 0.00 C ATOM 557 C GLN A 38 -1.923 6.890 -10.779 1.00 0.00 C ATOM 558 O GLN A 38 -2.514 6.126 -11.542 1.00 0.00 O ATOM 559 CB GLN A 38 -2.944 9.143 -11.147 1.00 0.00 C ATOM 560 CG GLN A 38 -3.893 10.219 -10.644 1.00 0.00 C ATOM 561 CD GLN A 38 -3.647 11.566 -11.296 1.00 0.00 C ATOM 562 OE1 GLN A 38 -3.169 11.642 -12.428 1.00 0.00 O ATOM 563 NE2 GLN A 38 -3.974 12.637 -10.583 1.00 0.00 N ATOM 0 H GLN A 38 -1.696 9.597 -9.071 1.00 0.00 H new ATOM 0 HA GLN A 38 -3.599 7.683 -9.713 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.004 9.609 -11.444 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.369 8.684 -12.040 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.921 9.910 -10.835 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.785 10.317 -9.564 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.368 12.527 -9.648 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.832 13.570 -10.970 1.00 0.00 H new ATOM 572 N ASN A 39 -0.634 6.762 -10.484 1.00 0.00 N ATOM 573 CA ASN A 39 0.179 5.693 -11.053 1.00 0.00 C ATOM 574 C ASN A 39 0.267 4.508 -10.096 1.00 0.00 C ATOM 575 O ASN A 39 0.309 3.354 -10.522 1.00 0.00 O ATOM 576 CB ASN A 39 1.583 6.208 -11.376 1.00 0.00 C ATOM 577 CG ASN A 39 1.680 6.781 -12.777 1.00 0.00 C ATOM 578 OD1 ASN A 39 1.712 6.042 -13.761 1.00 0.00 O ATOM 579 ND2 ASN A 39 1.727 8.105 -12.873 1.00 0.00 N ATOM 0 H ASN A 39 -0.129 7.385 -9.854 1.00 0.00 H new ATOM 0 HA ASN A 39 -0.298 5.358 -11.974 1.00 0.00 H new ATOM 0 HB2 ASN A 39 1.861 6.974 -10.653 1.00 0.00 H new ATOM 0 HB3 ASN A 39 2.299 5.394 -11.269 1.00 0.00 H new ATOM 0 HD21 ASN A 39 1.792 8.548 -13.790 1.00 0.00 H new ATOM 0 HD22 ASN A 39 1.698 8.679 -12.030 1.00 0.00 H new ATOM 586 N LEU A 40 0.295 4.803 -8.801 1.00 0.00 N ATOM 587 CA LEU A 40 0.378 3.762 -7.781 1.00 0.00 C ATOM 588 C LEU A 40 -0.983 3.112 -7.555 1.00 0.00 C ATOM 589 O LEU A 40 -1.070 1.929 -7.229 1.00 0.00 O ATOM 590 CB LEU A 40 0.901 4.347 -6.469 1.00 0.00 C ATOM 591 CG LEU A 40 1.243 3.337 -5.373 1.00 0.00 C ATOM 592 CD1 LEU A 40 2.476 2.533 -5.754 1.00 0.00 C ATOM 593 CD2 LEU A 40 1.456 4.045 -4.042 1.00 0.00 C ATOM 0 H LEU A 40 0.262 5.753 -8.432 1.00 0.00 H new ATOM 0 HA LEU A 40 1.071 2.998 -8.132 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.794 4.933 -6.686 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.153 5.037 -6.079 1.00 0.00 H new ATOM 0 HG LEU A 40 0.404 2.649 -5.266 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.704 1.820 -4.962 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.287 1.996 -6.683 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.322 3.207 -5.890 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.698 3.311 -3.274 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.276 4.757 -4.136 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.546 4.575 -3.762 1.00 0.00 H new ATOM 605 N GLN A 41 -2.043 3.894 -7.731 1.00 0.00 N ATOM 606 CA GLN A 41 -3.401 3.394 -7.547 1.00 0.00 C ATOM 607 C GLN A 41 -3.515 1.946 -8.013 1.00 0.00 C ATOM 608 O GLN A 41 -3.896 1.053 -7.257 1.00 0.00 O ATOM 609 CB GLN A 41 -4.397 4.268 -8.310 1.00 0.00 C ATOM 610 CG GLN A 41 -4.952 5.419 -7.486 1.00 0.00 C ATOM 611 CD GLN A 41 -5.374 4.990 -6.094 1.00 0.00 C ATOM 612 OE1 GLN A 41 -4.441 5.040 -5.151 1.00 0.00 O flip ATOM 613 NE2 GLN A 41 -6.526 4.617 -5.869 1.00 0.00 N flip ATOM 0 H GLN A 41 -1.988 4.876 -8.001 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.635 3.434 -6.483 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -3.909 4.670 -9.198 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -5.224 3.647 -8.654 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.197 6.202 -7.408 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.808 5.852 -8.004 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.211 4.594 -6.624 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.795 4.331 -4.928 1.00 0.00 H new ATOM 622 N PRO A 42 -3.178 1.707 -9.289 1.00 0.00 N ATOM 623 CA PRO A 42 -3.234 0.369 -9.885 1.00 0.00 C ATOM 624 C PRO A 42 -2.163 -0.561 -9.325 1.00 0.00 C ATOM 625 O PRO A 42 -2.443 -1.710 -8.985 1.00 0.00 O ATOM 626 CB PRO A 42 -2.989 0.632 -11.373 1.00 0.00 C ATOM 627 CG PRO A 42 -2.219 1.907 -11.410 1.00 0.00 C ATOM 628 CD PRO A 42 -2.715 2.724 -10.248 1.00 0.00 C ATOM 0 HA PRO A 42 -4.180 -0.130 -9.677 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -2.429 -0.182 -11.832 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -3.928 0.720 -11.919 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.149 1.719 -11.326 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.378 2.432 -12.352 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -1.924 3.344 -9.826 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.522 3.395 -10.544 1.00 0.00 H new ATOM 636 N GLU A 43 -0.937 -0.056 -9.232 1.00 0.00 N ATOM 637 CA GLU A 43 0.175 -0.843 -8.713 1.00 0.00 C ATOM 638 C GLU A 43 -0.173 -1.448 -7.356 1.00 0.00 C ATOM 639 O GLU A 43 0.236 -2.565 -7.040 1.00 0.00 O ATOM 640 CB GLU A 43 1.430 0.025 -8.590 1.00 0.00 C ATOM 641 CG GLU A 43 2.292 0.029 -9.841 1.00 0.00 C ATOM 642 CD GLU A 43 1.721 0.902 -10.941 1.00 0.00 C ATOM 643 OE1 GLU A 43 0.740 0.479 -11.587 1.00 0.00 O ATOM 644 OE2 GLU A 43 2.255 2.011 -11.155 1.00 0.00 O ATOM 0 H GLU A 43 -0.689 0.894 -9.509 1.00 0.00 H new ATOM 0 HA GLU A 43 0.370 -1.655 -9.414 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.133 1.048 -8.360 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.026 -0.330 -7.749 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.292 0.379 -9.587 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.396 -0.992 -10.209 1.00 0.00 H new ATOM 651 N TRP A 44 -0.928 -0.702 -6.559 1.00 0.00 N ATOM 652 CA TRP A 44 -1.331 -1.164 -5.235 1.00 0.00 C ATOM 653 C TRP A 44 -2.364 -2.280 -5.340 1.00 0.00 C ATOM 654 O TRP A 44 -2.208 -3.340 -4.734 1.00 0.00 O ATOM 655 CB TRP A 44 -1.898 -0.002 -4.418 1.00 0.00 C ATOM 656 CG TRP A 44 -1.739 -0.183 -2.939 1.00 0.00 C ATOM 657 CD1 TRP A 44 -2.730 -0.162 -1.999 1.00 0.00 C ATOM 658 CD2 TRP A 44 -0.516 -0.411 -2.230 1.00 0.00 C ATOM 659 NE1 TRP A 44 -2.197 -0.363 -0.749 1.00 0.00 N ATOM 660 CE2 TRP A 44 -0.841 -0.519 -0.863 1.00 0.00 C ATOM 661 CE3 TRP A 44 0.821 -0.536 -2.616 1.00 0.00 C ATOM 662 CZ2 TRP A 44 0.124 -0.745 0.115 1.00 0.00 C ATOM 663 CZ3 TRP A 44 1.777 -0.760 -1.644 1.00 0.00 C ATOM 664 CH2 TRP A 44 1.425 -0.864 -0.292 1.00 0.00 C ATOM 0 H TRP A 44 -1.274 0.225 -6.806 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.449 -1.557 -4.730 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.402 0.921 -4.719 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.956 0.114 -4.651 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -3.779 -0.010 -2.208 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -2.725 -0.391 0.123 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.102 -0.459 -3.656 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -0.145 -0.824 1.158 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.814 -0.857 -1.931 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.196 -1.042 0.444 1.00 0.00 H new ATOM 675 N GLU A 45 -3.419 -2.035 -6.111 1.00 0.00 N ATOM 676 CA GLU A 45 -4.477 -3.022 -6.293 1.00 0.00 C ATOM 677 C GLU A 45 -3.899 -4.368 -6.718 1.00 0.00 C ATOM 678 O GLU A 45 -4.307 -5.417 -6.220 1.00 0.00 O ATOM 679 CB GLU A 45 -5.485 -2.535 -7.336 1.00 0.00 C ATOM 680 CG GLU A 45 -6.516 -1.566 -6.781 1.00 0.00 C ATOM 681 CD GLU A 45 -7.716 -1.406 -7.693 1.00 0.00 C ATOM 682 OE1 GLU A 45 -7.546 -1.533 -8.924 1.00 0.00 O ATOM 683 OE2 GLU A 45 -8.825 -1.154 -7.177 1.00 0.00 O ATOM 0 H GLU A 45 -3.564 -1.162 -6.619 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.986 -3.151 -5.338 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.947 -2.052 -8.151 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.000 -3.396 -7.761 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.851 -1.917 -5.805 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.049 -0.593 -6.627 1.00 0.00 H new ATOM 690 N SER A 46 -2.945 -4.330 -7.644 1.00 0.00 N ATOM 691 CA SER A 46 -2.313 -5.547 -8.140 1.00 0.00 C ATOM 692 C SER A 46 -1.455 -6.194 -7.057 1.00 0.00 C ATOM 693 O SER A 46 -1.232 -7.405 -7.067 1.00 0.00 O ATOM 694 CB SER A 46 -1.456 -5.237 -9.368 1.00 0.00 C ATOM 695 OG SER A 46 -2.264 -4.997 -10.507 1.00 0.00 O ATOM 0 H SER A 46 -2.593 -3.470 -8.065 1.00 0.00 H new ATOM 0 HA SER A 46 -3.100 -6.247 -8.422 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.833 -4.365 -9.170 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.783 -6.071 -9.565 1.00 0.00 H new ATOM 0 HG SER A 46 -1.692 -4.800 -11.278 1.00 0.00 H new ATOM 701 N PHE A 47 -0.976 -5.378 -6.124 1.00 0.00 N ATOM 702 CA PHE A 47 -0.142 -5.870 -5.034 1.00 0.00 C ATOM 703 C PHE A 47 -0.985 -6.590 -3.986 1.00 0.00 C ATOM 704 O PHE A 47 -0.719 -7.742 -3.645 1.00 0.00 O ATOM 705 CB PHE A 47 0.619 -4.712 -4.384 1.00 0.00 C ATOM 706 CG PHE A 47 0.970 -4.958 -2.945 1.00 0.00 C ATOM 707 CD1 PHE A 47 1.299 -6.230 -2.506 1.00 0.00 C ATOM 708 CD2 PHE A 47 0.970 -3.917 -2.031 1.00 0.00 C ATOM 709 CE1 PHE A 47 1.622 -6.460 -1.181 1.00 0.00 C ATOM 710 CE2 PHE A 47 1.293 -4.140 -0.705 1.00 0.00 C ATOM 711 CZ PHE A 47 1.618 -5.414 -0.280 1.00 0.00 C ATOM 0 H PHE A 47 -1.151 -4.373 -6.101 1.00 0.00 H new ATOM 0 HA PHE A 47 0.574 -6.580 -5.449 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.534 -4.528 -4.947 1.00 0.00 H new ATOM 0 HB3 PHE A 47 0.015 -3.807 -4.453 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.303 -7.052 -3.207 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.715 -2.920 -2.358 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.877 -7.456 -0.852 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.291 -3.320 -0.003 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.869 -5.591 0.755 1.00 0.00 H new ATOM 721 N ALA A 48 -2.002 -5.902 -3.478 1.00 0.00 N ATOM 722 CA ALA A 48 -2.886 -6.476 -2.471 1.00 0.00 C ATOM 723 C ALA A 48 -3.390 -7.849 -2.901 1.00 0.00 C ATOM 724 O ALA A 48 -3.880 -8.625 -2.081 1.00 0.00 O ATOM 725 CB ALA A 48 -4.056 -5.542 -2.201 1.00 0.00 C ATOM 0 H ALA A 48 -2.234 -4.946 -3.747 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.315 -6.600 -1.551 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.708 -5.984 -1.447 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.681 -4.584 -1.840 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.619 -5.388 -3.122 1.00 0.00 H new ATOM 731 N GLU A 49 -3.268 -8.142 -4.192 1.00 0.00 N ATOM 732 CA GLU A 49 -3.714 -9.422 -4.730 1.00 0.00 C ATOM 733 C GLU A 49 -2.990 -10.580 -4.049 1.00 0.00 C ATOM 734 O GLU A 49 -3.620 -11.459 -3.460 1.00 0.00 O ATOM 735 CB GLU A 49 -3.478 -9.475 -6.241 1.00 0.00 C ATOM 736 CG GLU A 49 -4.310 -8.473 -7.023 1.00 0.00 C ATOM 737 CD GLU A 49 -4.427 -8.832 -8.492 1.00 0.00 C ATOM 738 OE1 GLU A 49 -4.582 -10.032 -8.799 1.00 0.00 O ATOM 739 OE2 GLU A 49 -4.363 -7.911 -9.333 1.00 0.00 O ATOM 0 H GLU A 49 -2.864 -7.511 -4.884 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.782 -9.518 -4.533 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.422 -9.293 -6.442 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.702 -10.479 -6.600 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.307 -8.415 -6.586 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.863 -7.483 -6.929 1.00 0.00 H new ATOM 746 N TRP A 50 -1.665 -10.573 -4.135 1.00 0.00 N ATOM 747 CA TRP A 50 -0.855 -11.624 -3.528 1.00 0.00 C ATOM 748 C TRP A 50 -0.448 -11.245 -2.109 1.00 0.00 C ATOM 749 O TRP A 50 0.174 -12.035 -1.400 1.00 0.00 O ATOM 750 CB TRP A 50 0.391 -11.889 -4.375 1.00 0.00 C ATOM 751 CG TRP A 50 1.164 -10.647 -4.699 1.00 0.00 C ATOM 752 CD1 TRP A 50 1.231 -10.014 -5.907 1.00 0.00 C ATOM 753 CD2 TRP A 50 1.983 -9.889 -3.801 1.00 0.00 C ATOM 754 NE1 TRP A 50 2.042 -8.908 -5.815 1.00 0.00 N ATOM 755 CE2 TRP A 50 2.514 -8.809 -4.533 1.00 0.00 C ATOM 756 CE3 TRP A 50 2.316 -10.015 -2.450 1.00 0.00 C ATOM 757 CZ2 TRP A 50 3.361 -7.865 -3.958 1.00 0.00 C ATOM 758 CZ3 TRP A 50 3.157 -9.078 -1.881 1.00 0.00 C ATOM 759 CH2 TRP A 50 3.671 -8.014 -2.633 1.00 0.00 C ATOM 0 H TRP A 50 -1.129 -9.853 -4.618 1.00 0.00 H new ATOM 0 HA TRP A 50 -1.456 -12.532 -3.484 1.00 0.00 H new ATOM 0 HB2 TRP A 50 1.041 -12.585 -3.844 1.00 0.00 H new ATOM 0 HB3 TRP A 50 0.093 -12.376 -5.304 1.00 0.00 H new ATOM 0 HD1 TRP A 50 0.721 -10.335 -6.803 1.00 0.00 H new ATOM 0 HE1 TRP A 50 2.257 -8.266 -6.577 1.00 0.00 H new ATOM 0 HE3 TRP A 50 1.923 -10.830 -1.861 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 3.759 -7.045 -4.537 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.423 -9.168 -0.838 1.00 0.00 H new ATOM 0 HH2 TRP A 50 4.325 -7.297 -2.158 1.00 0.00 H new ATOM 770 N GLY A 51 -0.805 -10.032 -1.698 1.00 0.00 N ATOM 771 CA GLY A 51 -0.469 -9.571 -0.364 1.00 0.00 C ATOM 772 C GLY A 51 -0.873 -10.561 0.711 1.00 0.00 C ATOM 773 O GLY A 51 -0.020 -11.163 1.362 1.00 0.00 O ATOM 0 H GLY A 51 -1.321 -9.360 -2.266 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.605 -9.393 -0.304 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.961 -8.617 -0.178 1.00 0.00 H new ATOM 777 N GLU A 52 -2.179 -10.728 0.897 1.00 0.00 N ATOM 778 CA GLU A 52 -2.694 -11.650 1.903 1.00 0.00 C ATOM 779 C GLU A 52 -2.070 -13.034 1.743 1.00 0.00 C ATOM 780 O GLU A 52 -1.928 -13.778 2.713 1.00 0.00 O ATOM 781 CB GLU A 52 -4.218 -11.751 1.802 1.00 0.00 C ATOM 782 CG GLU A 52 -4.700 -12.430 0.531 1.00 0.00 C ATOM 783 CD GLU A 52 -6.207 -12.596 0.494 1.00 0.00 C ATOM 784 OE1 GLU A 52 -6.917 -11.667 0.930 1.00 0.00 O ATOM 785 OE2 GLU A 52 -6.675 -13.656 0.029 1.00 0.00 O ATOM 0 H GLU A 52 -2.898 -10.238 0.365 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.427 -11.261 2.886 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.595 -12.302 2.664 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.644 -10.749 1.853 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.381 -11.846 -0.332 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.228 -13.409 0.445 1.00 0.00 H new ATOM 792 N ASP A 53 -1.701 -13.371 0.512 1.00 0.00 N ATOM 793 CA ASP A 53 -1.092 -14.664 0.224 1.00 0.00 C ATOM 794 C ASP A 53 0.264 -14.792 0.911 1.00 0.00 C ATOM 795 O ASP A 53 0.600 -15.845 1.454 1.00 0.00 O ATOM 796 CB ASP A 53 -0.932 -14.851 -1.286 1.00 0.00 C ATOM 797 CG ASP A 53 -2.072 -15.643 -1.895 1.00 0.00 C ATOM 798 OD1 ASP A 53 -3.178 -15.082 -2.030 1.00 0.00 O ATOM 799 OD2 ASP A 53 -1.857 -16.826 -2.236 1.00 0.00 O ATOM 0 H ASP A 53 -1.813 -12.767 -0.302 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.750 -15.442 0.611 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.875 -13.874 -1.766 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.010 -15.361 -1.488 1.00 0.00 H new ATOM 804 N LEU A 54 1.039 -13.713 0.884 1.00 0.00 N ATOM 805 CA LEU A 54 2.360 -13.704 1.504 1.00 0.00 C ATOM 806 C LEU A 54 2.261 -13.381 2.991 1.00 0.00 C ATOM 807 O LEU A 54 3.240 -12.969 3.612 1.00 0.00 O ATOM 808 CB LEU A 54 3.264 -12.686 0.808 1.00 0.00 C ATOM 809 CG LEU A 54 3.458 -12.878 -0.697 1.00 0.00 C ATOM 810 CD1 LEU A 54 4.367 -11.797 -1.260 1.00 0.00 C ATOM 811 CD2 LEU A 54 4.024 -14.259 -0.990 1.00 0.00 C ATOM 0 H LEU A 54 0.776 -12.833 0.440 1.00 0.00 H new ATOM 0 HA LEU A 54 2.793 -14.699 1.395 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.854 -11.690 0.977 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.243 -12.713 1.286 1.00 0.00 H new ATOM 0 HG LEU A 54 2.486 -12.796 -1.183 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.494 -11.950 -2.332 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.921 -10.818 -1.083 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.339 -11.847 -0.769 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.155 -14.378 -2.066 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.987 -14.371 -0.492 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.336 -15.020 -0.622 1.00 0.00 H new ATOM 823 N GLU A 55 1.073 -13.572 3.555 1.00 0.00 N ATOM 824 CA GLU A 55 0.848 -13.302 4.970 1.00 0.00 C ATOM 825 C GLU A 55 1.174 -11.849 5.306 1.00 0.00 C ATOM 826 O GLU A 55 1.978 -11.571 6.196 1.00 0.00 O ATOM 827 CB GLU A 55 1.696 -14.239 5.833 1.00 0.00 C ATOM 828 CG GLU A 55 1.040 -15.583 6.099 1.00 0.00 C ATOM 829 CD GLU A 55 1.180 -16.542 4.932 1.00 0.00 C ATOM 830 OE1 GLU A 55 2.297 -17.055 4.716 1.00 0.00 O ATOM 831 OE2 GLU A 55 0.170 -16.779 4.236 1.00 0.00 O ATOM 0 H GLU A 55 0.252 -13.912 3.054 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.206 -13.478 5.183 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.655 -14.403 5.341 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.905 -13.752 6.785 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.485 -16.031 6.988 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.018 -15.431 6.314 1.00 0.00 H new ATOM 838 N VAL A 56 0.544 -10.926 4.586 1.00 0.00 N ATOM 839 CA VAL A 56 0.766 -9.502 4.806 1.00 0.00 C ATOM 840 C VAL A 56 -0.482 -8.693 4.470 1.00 0.00 C ATOM 841 O VAL A 56 -1.020 -8.792 3.369 1.00 0.00 O ATOM 842 CB VAL A 56 1.945 -8.981 3.962 1.00 0.00 C ATOM 843 CG1 VAL A 56 1.467 -8.555 2.582 1.00 0.00 C ATOM 844 CG2 VAL A 56 2.640 -7.830 4.673 1.00 0.00 C ATOM 0 H VAL A 56 -0.124 -11.139 3.845 1.00 0.00 H new ATOM 0 HA VAL A 56 1.002 -9.378 5.863 1.00 0.00 H new ATOM 0 HB VAL A 56 2.665 -9.789 3.837 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.313 -8.190 2.000 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.018 -9.408 2.073 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.727 -7.761 2.682 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.470 -7.474 4.063 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.930 -7.018 4.830 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.018 -8.173 5.636 1.00 0.00 H new ATOM 854 N ASN A 57 -0.936 -7.893 5.429 1.00 0.00 N ATOM 855 CA ASN A 57 -2.122 -7.065 5.235 1.00 0.00 C ATOM 856 C ASN A 57 -1.772 -5.777 4.498 1.00 0.00 C ATOM 857 O ASN A 57 -0.688 -5.220 4.680 1.00 0.00 O ATOM 858 CB ASN A 57 -2.765 -6.736 6.584 1.00 0.00 C ATOM 859 CG ASN A 57 -3.073 -7.979 7.397 1.00 0.00 C ATOM 860 OD1 ASN A 57 -4.083 -8.646 7.173 1.00 0.00 O ATOM 861 ND2 ASN A 57 -2.201 -8.295 8.347 1.00 0.00 N ATOM 0 H ASN A 57 -0.502 -7.800 6.347 1.00 0.00 H new ATOM 0 HA ASN A 57 -2.832 -7.627 4.629 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -2.097 -6.089 7.153 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.686 -6.177 6.418 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.355 -9.120 8.927 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.377 -7.713 8.497 1.00 0.00 H new ATOM 868 N ILE A 58 -2.695 -5.308 3.666 1.00 0.00 N ATOM 869 CA ILE A 58 -2.485 -4.084 2.903 1.00 0.00 C ATOM 870 C ILE A 58 -3.613 -3.086 3.142 1.00 0.00 C ATOM 871 O ILE A 58 -4.790 -3.438 3.079 1.00 0.00 O ATOM 872 CB ILE A 58 -2.381 -4.372 1.394 1.00 0.00 C ATOM 873 CG1 ILE A 58 -1.218 -5.327 1.114 1.00 0.00 C ATOM 874 CG2 ILE A 58 -2.208 -3.076 0.617 1.00 0.00 C ATOM 875 CD1 ILE A 58 -1.584 -6.786 1.267 1.00 0.00 C ATOM 0 H ILE A 58 -3.596 -5.757 3.503 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.544 -3.655 3.248 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.305 -4.848 1.066 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.854 -5.156 0.101 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.396 -5.094 1.791 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.136 -3.297 -0.448 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.066 -2.427 0.796 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.298 -2.574 0.945 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.712 -7.404 1.053 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.920 -6.972 2.287 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.385 -7.035 0.571 1.00 0.00 H new ATOM 887 N ALA A 59 -3.244 -1.839 3.414 1.00 0.00 N ATOM 888 CA ALA A 59 -4.225 -0.788 3.659 1.00 0.00 C ATOM 889 C ALA A 59 -3.822 0.511 2.969 1.00 0.00 C ATOM 890 O ALA A 59 -2.717 0.628 2.439 1.00 0.00 O ATOM 891 CB ALA A 59 -4.396 -0.563 5.154 1.00 0.00 C ATOM 0 H ALA A 59 -2.273 -1.531 3.470 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.178 -1.111 3.240 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.131 0.224 5.322 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.738 -1.485 5.624 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.441 -0.267 5.589 1.00 0.00 H new ATOM 897 N LYS A 60 -4.725 1.485 2.978 1.00 0.00 N ATOM 898 CA LYS A 60 -4.464 2.777 2.354 1.00 0.00 C ATOM 899 C LYS A 60 -4.970 3.917 3.232 1.00 0.00 C ATOM 900 O LYS A 60 -5.995 3.790 3.902 1.00 0.00 O ATOM 901 CB LYS A 60 -5.129 2.845 0.977 1.00 0.00 C ATOM 902 CG LYS A 60 -6.637 3.017 1.038 1.00 0.00 C ATOM 903 CD LYS A 60 -7.274 2.848 -0.331 1.00 0.00 C ATOM 904 CE LYS A 60 -8.792 2.840 -0.243 1.00 0.00 C ATOM 905 NZ LYS A 60 -9.425 2.695 -1.583 1.00 0.00 N ATOM 0 H LYS A 60 -5.645 1.404 3.411 1.00 0.00 H new ATOM 0 HA LYS A 60 -3.386 2.884 2.235 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.699 3.675 0.416 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.898 1.934 0.426 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.059 2.288 1.729 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.876 4.005 1.432 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.951 3.657 -0.986 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.930 1.917 -0.781 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.114 2.022 0.401 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.134 3.765 0.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.460 2.694 -1.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.138 3.489 -2.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.119 1.800 -2.016 1.00 0.00 H new ATOM 919 N VAL A 61 -4.245 5.032 3.222 1.00 0.00 N ATOM 920 CA VAL A 61 -4.622 6.195 4.015 1.00 0.00 C ATOM 921 C VAL A 61 -4.873 7.408 3.126 1.00 0.00 C ATOM 922 O VAL A 61 -4.153 7.639 2.155 1.00 0.00 O ATOM 923 CB VAL A 61 -3.536 6.546 5.048 1.00 0.00 C ATOM 924 CG1 VAL A 61 -3.754 7.948 5.598 1.00 0.00 C ATOM 925 CG2 VAL A 61 -3.518 5.521 6.172 1.00 0.00 C ATOM 0 H VAL A 61 -3.394 5.153 2.673 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.542 5.936 4.540 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.566 6.523 4.551 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.977 8.178 6.327 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.712 8.670 4.782 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.730 8.002 6.080 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.744 5.785 6.893 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.488 5.509 6.669 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.309 4.534 5.761 1.00 0.00 H new ATOM 935 N ASP A 62 -5.900 8.181 3.465 1.00 0.00 N ATOM 936 CA ASP A 62 -6.246 9.372 2.698 1.00 0.00 C ATOM 937 C ASP A 62 -5.779 10.634 3.416 1.00 0.00 C ATOM 938 O ASP A 62 -6.132 10.871 4.571 1.00 0.00 O ATOM 939 CB ASP A 62 -7.756 9.433 2.464 1.00 0.00 C ATOM 940 CG ASP A 62 -8.358 8.065 2.209 1.00 0.00 C ATOM 941 OD1 ASP A 62 -8.177 7.169 3.060 1.00 0.00 O ATOM 942 OD2 ASP A 62 -9.011 7.890 1.160 1.00 0.00 O ATOM 0 H ASP A 62 -6.507 8.004 4.266 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.739 9.314 1.735 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.237 9.882 3.332 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.963 10.082 1.613 1.00 0.00 H new ATOM 947 N VAL A 63 -4.981 11.442 2.724 1.00 0.00 N ATOM 948 CA VAL A 63 -4.465 12.680 3.294 1.00 0.00 C ATOM 949 C VAL A 63 -5.465 13.819 3.129 1.00 0.00 C ATOM 950 O VAL A 63 -5.088 14.992 3.097 1.00 0.00 O ATOM 951 CB VAL A 63 -3.130 13.085 2.642 1.00 0.00 C ATOM 952 CG1 VAL A 63 -2.078 12.009 2.866 1.00 0.00 C ATOM 953 CG2 VAL A 63 -3.322 13.354 1.158 1.00 0.00 C ATOM 0 H VAL A 63 -4.678 11.260 1.767 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.300 12.495 4.356 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.780 14.004 3.112 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.142 12.313 2.398 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.921 11.871 3.936 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.417 11.072 2.425 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.368 13.639 0.714 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.695 12.453 0.670 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.040 14.163 1.025 1.00 0.00 H new ATOM 963 N THR A 64 -6.743 13.468 3.025 1.00 0.00 N ATOM 964 CA THR A 64 -7.797 14.461 2.863 1.00 0.00 C ATOM 965 C THR A 64 -8.885 14.285 3.917 1.00 0.00 C ATOM 966 O THR A 64 -9.541 15.248 4.311 1.00 0.00 O ATOM 967 CB THR A 64 -8.436 14.378 1.464 1.00 0.00 C ATOM 968 OG1 THR A 64 -9.103 13.120 1.304 1.00 0.00 O ATOM 969 CG2 THR A 64 -7.384 14.541 0.378 1.00 0.00 C ATOM 0 H THR A 64 -7.073 12.503 3.050 1.00 0.00 H new ATOM 0 HA THR A 64 -7.331 15.439 2.985 1.00 0.00 H new ATOM 0 HB THR A 64 -9.160 15.188 1.371 1.00 0.00 H new ATOM 0 HG1 THR A 64 -9.508 13.076 0.413 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.859 14.479 -0.601 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.898 15.511 0.485 1.00 0.00 H new ATOM 0 HG23 THR A 64 -6.640 13.750 0.471 1.00 0.00 H new ATOM 977 N GLU A 65 -9.069 13.049 4.370 1.00 0.00 N ATOM 978 CA GLU A 65 -10.078 12.748 5.380 1.00 0.00 C ATOM 979 C GLU A 65 -9.430 12.503 6.740 1.00 0.00 C ATOM 980 O GLU A 65 -10.062 12.685 7.780 1.00 0.00 O ATOM 981 CB GLU A 65 -10.897 11.525 4.965 1.00 0.00 C ATOM 982 CG GLU A 65 -11.762 11.759 3.738 1.00 0.00 C ATOM 983 CD GLU A 65 -12.558 10.531 3.342 1.00 0.00 C ATOM 984 OE1 GLU A 65 -13.429 10.109 4.132 1.00 0.00 O ATOM 985 OE2 GLU A 65 -12.312 9.992 2.243 1.00 0.00 O ATOM 0 H GLU A 65 -8.533 12.240 4.054 1.00 0.00 H new ATOM 0 HA GLU A 65 -10.741 13.609 5.463 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -10.219 10.694 4.768 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.535 11.226 5.797 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -12.447 12.584 3.933 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -11.129 12.061 2.904 1.00 0.00 H new ATOM 992 N GLN A 66 -8.167 12.090 6.722 1.00 0.00 N ATOM 993 CA GLN A 66 -7.435 11.819 7.953 1.00 0.00 C ATOM 994 C GLN A 66 -6.307 12.826 8.148 1.00 0.00 C ATOM 995 O GLN A 66 -5.154 12.580 7.791 1.00 0.00 O ATOM 996 CB GLN A 66 -6.869 10.398 7.932 1.00 0.00 C ATOM 997 CG GLN A 66 -7.934 9.320 7.813 1.00 0.00 C ATOM 998 CD GLN A 66 -8.920 9.345 8.964 1.00 0.00 C ATOM 999 OE1 GLN A 66 -8.576 9.726 10.084 1.00 0.00 O ATOM 1000 NE2 GLN A 66 -10.155 8.937 8.695 1.00 0.00 N ATOM 0 H GLN A 66 -7.630 11.936 5.869 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.130 11.913 8.788 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -6.175 10.305 7.097 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -6.295 10.231 8.844 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -8.473 9.449 6.875 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -7.453 8.343 7.772 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -10.397 8.630 7.753 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -10.862 8.931 9.430 1.00 0.00 H new ATOM 1009 N PRO A 67 -6.643 13.988 8.728 1.00 0.00 N ATOM 1010 CA PRO A 67 -5.672 15.055 8.984 1.00 0.00 C ATOM 1011 C PRO A 67 -4.678 14.684 10.079 1.00 0.00 C ATOM 1012 O PRO A 67 -3.611 15.286 10.192 1.00 0.00 O ATOM 1013 CB PRO A 67 -6.546 16.230 9.431 1.00 0.00 C ATOM 1014 CG PRO A 67 -7.776 15.598 9.984 1.00 0.00 C ATOM 1015 CD PRO A 67 -7.998 14.348 9.179 1.00 0.00 C ATOM 0 HA PRO A 67 -5.061 15.269 8.107 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.040 16.836 10.183 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.781 16.889 8.595 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -7.653 15.364 11.041 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.630 16.271 9.904 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -8.445 13.557 9.781 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -8.668 14.525 8.338 1.00 0.00 H new ATOM 1023 N GLY A 68 -5.035 13.688 10.884 1.00 0.00 N ATOM 1024 CA GLY A 68 -4.163 13.254 11.959 1.00 0.00 C ATOM 1025 C GLY A 68 -3.096 12.287 11.486 1.00 0.00 C ATOM 1026 O GLY A 68 -1.950 12.346 11.934 1.00 0.00 O ATOM 0 H GLY A 68 -5.913 13.174 10.811 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -3.686 14.124 12.410 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.760 12.779 12.738 1.00 0.00 H new ATOM 1030 N LEU A 69 -3.472 11.392 10.579 1.00 0.00 N ATOM 1031 CA LEU A 69 -2.539 10.405 10.045 1.00 0.00 C ATOM 1032 C LEU A 69 -1.551 11.056 9.082 1.00 0.00 C ATOM 1033 O LEU A 69 -0.454 10.543 8.862 1.00 0.00 O ATOM 1034 CB LEU A 69 -3.301 9.286 9.334 1.00 0.00 C ATOM 1035 CG LEU A 69 -3.865 8.183 10.230 1.00 0.00 C ATOM 1036 CD1 LEU A 69 -4.810 7.288 9.443 1.00 0.00 C ATOM 1037 CD2 LEU A 69 -2.738 7.365 10.843 1.00 0.00 C ATOM 0 H LEU A 69 -4.416 11.329 10.198 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.980 9.981 10.879 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.126 9.732 8.778 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.635 8.828 8.603 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.428 8.650 11.038 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.202 6.509 10.097 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.635 7.884 9.053 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.271 6.829 8.614 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.158 6.585 11.478 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.147 6.908 10.049 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.100 8.015 11.442 1.00 0.00 H new ATOM 1049 N SER A 70 -1.947 12.189 8.512 1.00 0.00 N ATOM 1050 CA SER A 70 -1.097 12.909 7.571 1.00 0.00 C ATOM 1051 C SER A 70 0.053 13.601 8.297 1.00 0.00 C ATOM 1052 O SER A 70 1.199 13.558 7.851 1.00 0.00 O ATOM 1053 CB SER A 70 -1.919 13.940 6.795 1.00 0.00 C ATOM 1054 OG SER A 70 -2.142 15.104 7.572 1.00 0.00 O ATOM 0 H SER A 70 -2.851 12.628 8.685 1.00 0.00 H new ATOM 0 HA SER A 70 -0.679 12.186 6.871 1.00 0.00 H new ATOM 0 HB2 SER A 70 -1.398 14.207 5.875 1.00 0.00 H new ATOM 0 HB3 SER A 70 -2.875 13.504 6.505 1.00 0.00 H new ATOM 0 HG SER A 70 -2.623 14.863 8.391 1.00 0.00 H new ATOM 1060 N GLY A 71 -0.263 14.239 9.420 1.00 0.00 N ATOM 1061 CA GLY A 71 0.753 14.931 10.191 1.00 0.00 C ATOM 1062 C GLY A 71 1.406 14.037 11.226 1.00 0.00 C ATOM 1063 O GLY A 71 2.560 14.247 11.599 1.00 0.00 O ATOM 0 H GLY A 71 -1.204 14.289 9.809 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.517 15.317 9.516 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.304 15.790 10.689 1.00 0.00 H new ATOM 1067 N ARG A 72 0.666 13.036 11.692 1.00 0.00 N ATOM 1068 CA ARG A 72 1.178 12.108 12.692 1.00 0.00 C ATOM 1069 C ARG A 72 2.324 11.275 12.125 1.00 0.00 C ATOM 1070 O ARG A 72 3.350 11.083 12.778 1.00 0.00 O ATOM 1071 CB ARG A 72 0.060 11.188 13.186 1.00 0.00 C ATOM 1072 CG ARG A 72 0.535 10.120 14.158 1.00 0.00 C ATOM 1073 CD ARG A 72 -0.550 9.756 15.159 1.00 0.00 C ATOM 1074 NE ARG A 72 -1.566 8.885 14.574 1.00 0.00 N ATOM 1075 CZ ARG A 72 -2.785 8.734 15.079 1.00 0.00 C ATOM 1076 NH1 ARG A 72 -3.139 9.394 16.173 1.00 0.00 N ATOM 1077 NH2 ARG A 72 -3.653 7.923 14.489 1.00 0.00 N ATOM 0 H ARG A 72 -0.291 12.847 11.392 1.00 0.00 H new ATOM 0 HA ARG A 72 1.556 12.691 13.532 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -0.709 11.791 13.669 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -0.407 10.705 12.328 1.00 0.00 H new ATOM 0 HG2 ARG A 72 0.834 9.230 13.605 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.417 10.477 14.690 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.099 9.260 16.018 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -1.022 10.666 15.528 1.00 0.00 H new ATOM 0 HE ARG A 72 -1.326 8.364 13.731 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -2.475 10.019 16.629 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -4.076 9.276 16.559 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -3.385 7.414 13.647 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -4.589 7.808 14.878 1.00 0.00 H new ATOM 1091 N PHE A 73 2.141 10.781 10.904 1.00 0.00 N ATOM 1092 CA PHE A 73 3.159 9.967 10.249 1.00 0.00 C ATOM 1093 C PHE A 73 4.170 10.845 9.518 1.00 0.00 C ATOM 1094 O PHE A 73 4.749 10.436 8.511 1.00 0.00 O ATOM 1095 CB PHE A 73 2.507 8.993 9.265 1.00 0.00 C ATOM 1096 CG PHE A 73 2.034 7.720 9.907 1.00 0.00 C ATOM 1097 CD1 PHE A 73 0.890 7.706 10.688 1.00 0.00 C ATOM 1098 CD2 PHE A 73 2.733 6.537 9.728 1.00 0.00 C ATOM 1099 CE1 PHE A 73 0.453 6.536 11.280 1.00 0.00 C ATOM 1100 CE2 PHE A 73 2.300 5.364 10.317 1.00 0.00 C ATOM 1101 CZ PHE A 73 1.158 5.363 11.094 1.00 0.00 C ATOM 0 H PHE A 73 1.298 10.930 10.349 1.00 0.00 H new ATOM 0 HA PHE A 73 3.685 9.400 11.017 1.00 0.00 H new ATOM 0 HB2 PHE A 73 1.661 9.485 8.786 1.00 0.00 H new ATOM 0 HB3 PHE A 73 3.222 8.750 8.479 1.00 0.00 H new ATOM 0 HD1 PHE A 73 0.333 8.620 10.836 1.00 0.00 H new ATOM 0 HD2 PHE A 73 3.626 6.531 9.121 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -0.440 6.539 11.888 1.00 0.00 H new ATOM 0 HE2 PHE A 73 2.854 4.449 10.170 1.00 0.00 H new ATOM 0 HZ PHE A 73 0.817 4.448 11.555 1.00 0.00 H new ATOM 1111 N ILE A 74 4.376 12.053 10.032 1.00 0.00 N ATOM 1112 CA ILE A 74 5.317 12.988 9.429 1.00 0.00 C ATOM 1113 C ILE A 74 5.313 12.869 7.909 1.00 0.00 C ATOM 1114 O ILE A 74 6.368 12.862 7.274 1.00 0.00 O ATOM 1115 CB ILE A 74 6.749 12.758 9.946 1.00 0.00 C ATOM 1116 CG1 ILE A 74 7.194 11.323 9.659 1.00 0.00 C ATOM 1117 CG2 ILE A 74 6.828 13.055 11.436 1.00 0.00 C ATOM 1118 CD1 ILE A 74 6.648 10.312 10.643 1.00 0.00 C ATOM 0 H ILE A 74 3.904 12.407 10.864 1.00 0.00 H new ATOM 0 HA ILE A 74 4.993 13.989 9.714 1.00 0.00 H new ATOM 0 HB ILE A 74 7.422 13.438 9.424 1.00 0.00 H new ATOM 0 HG12 ILE A 74 6.876 11.047 8.653 1.00 0.00 H new ATOM 0 HG13 ILE A 74 8.283 11.279 9.673 1.00 0.00 H new ATOM 0 HG21 ILE A 74 7.846 12.888 11.787 1.00 0.00 H new ATOM 0 HG22 ILE A 74 6.548 14.093 11.615 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.146 12.397 11.975 1.00 0.00 H new ATOM 0 HD11 ILE A 74 7.005 9.317 10.378 1.00 0.00 H new ATOM 0 HD12 ILE A 74 6.987 10.563 11.648 1.00 0.00 H new ATOM 0 HD13 ILE A 74 5.559 10.327 10.613 1.00 0.00 H new ATOM 1130 N ILE A 75 4.119 12.779 7.331 1.00 0.00 N ATOM 1131 CA ILE A 75 3.978 12.664 5.885 1.00 0.00 C ATOM 1132 C ILE A 75 4.018 14.034 5.218 1.00 0.00 C ATOM 1133 O ILE A 75 3.154 14.878 5.457 1.00 0.00 O ATOM 1134 CB ILE A 75 2.664 11.957 5.503 1.00 0.00 C ATOM 1135 CG1 ILE A 75 2.602 10.568 6.141 1.00 0.00 C ATOM 1136 CG2 ILE A 75 2.537 11.857 3.990 1.00 0.00 C ATOM 1137 CD1 ILE A 75 3.801 9.702 5.821 1.00 0.00 C ATOM 0 H ILE A 75 3.236 12.784 7.842 1.00 0.00 H new ATOM 0 HA ILE A 75 4.819 12.067 5.532 1.00 0.00 H new ATOM 0 HB ILE A 75 1.829 12.547 5.880 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.521 10.677 7.223 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.698 10.062 5.803 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.603 11.355 3.736 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.541 12.858 3.558 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.376 11.287 3.591 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.689 8.732 6.306 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.871 9.562 4.742 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.707 10.187 6.184 1.00 0.00 H new ATOM 1149 N ASN A 76 5.025 14.249 4.378 1.00 0.00 N ATOM 1150 CA ASN A 76 5.177 15.517 3.674 1.00 0.00 C ATOM 1151 C ASN A 76 5.070 15.318 2.166 1.00 0.00 C ATOM 1152 O ASN A 76 4.505 16.152 1.458 1.00 0.00 O ATOM 1153 CB ASN A 76 6.523 16.158 4.021 1.00 0.00 C ATOM 1154 CG ASN A 76 6.539 16.749 5.418 1.00 0.00 C ATOM 1155 OD1 ASN A 76 5.934 17.790 5.671 1.00 0.00 O ATOM 1156 ND2 ASN A 76 7.234 16.083 6.333 1.00 0.00 N ATOM 0 H ASN A 76 5.748 13.561 4.168 1.00 0.00 H new ATOM 0 HA ASN A 76 4.373 16.180 3.993 1.00 0.00 H new ATOM 0 HB2 ASN A 76 7.311 15.410 3.937 1.00 0.00 H new ATOM 0 HB3 ASN A 76 6.748 16.940 3.296 1.00 0.00 H new ATOM 0 HD21 ASN A 76 7.281 16.431 7.291 1.00 0.00 H new ATOM 0 HD22 ASN A 76 7.720 15.223 6.078 1.00 0.00 H new ATOM 1163 N ALA A 77 5.616 14.208 1.680 1.00 0.00 N ATOM 1164 CA ALA A 77 5.579 13.898 0.256 1.00 0.00 C ATOM 1165 C ALA A 77 4.710 12.675 -0.017 1.00 0.00 C ATOM 1166 O ALA A 77 4.510 11.834 0.860 1.00 0.00 O ATOM 1167 CB ALA A 77 6.989 13.675 -0.272 1.00 0.00 C ATOM 0 H ALA A 77 6.089 13.508 2.252 1.00 0.00 H new ATOM 0 HA ALA A 77 5.138 14.748 -0.265 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.947 13.444 -1.336 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.582 14.577 -0.119 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.450 12.844 0.261 1.00 0.00 H new ATOM 1173 N LEU A 78 4.195 12.583 -1.238 1.00 0.00 N ATOM 1174 CA LEU A 78 3.346 11.462 -1.627 1.00 0.00 C ATOM 1175 C LEU A 78 3.599 11.065 -3.078 1.00 0.00 C ATOM 1176 O LEU A 78 3.981 11.885 -3.914 1.00 0.00 O ATOM 1177 CB LEU A 78 1.872 11.823 -1.435 1.00 0.00 C ATOM 1178 CG LEU A 78 1.465 12.256 -0.026 1.00 0.00 C ATOM 1179 CD1 LEU A 78 0.305 13.238 -0.083 1.00 0.00 C ATOM 1180 CD2 LEU A 78 1.100 11.045 0.820 1.00 0.00 C ATOM 0 H LEU A 78 4.350 13.270 -1.975 1.00 0.00 H new ATOM 0 HA LEU A 78 3.592 10.613 -0.989 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.623 12.627 -2.127 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.268 10.961 -1.717 1.00 0.00 H new ATOM 0 HG LEU A 78 2.315 12.756 0.439 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.029 13.535 0.929 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.602 14.119 -0.651 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.549 12.765 -0.568 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.813 11.372 1.819 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.266 10.516 0.358 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.959 10.378 0.890 1.00 0.00 H new ATOM 1192 N PRO A 79 3.380 9.778 -3.387 1.00 0.00 N ATOM 1193 CA PRO A 79 2.926 8.794 -2.400 1.00 0.00 C ATOM 1194 C PRO A 79 4.002 8.466 -1.371 1.00 0.00 C ATOM 1195 O PRO A 79 5.161 8.854 -1.523 1.00 0.00 O ATOM 1196 CB PRO A 79 2.605 7.562 -3.250 1.00 0.00 C ATOM 1197 CG PRO A 79 3.455 7.708 -4.464 1.00 0.00 C ATOM 1198 CD PRO A 79 3.559 9.185 -4.722 1.00 0.00 C ATOM 0 HA PRO A 79 2.080 9.160 -1.819 1.00 0.00 H new ATOM 0 HB2 PRO A 79 2.834 6.641 -2.714 1.00 0.00 H new ATOM 0 HB3 PRO A 79 1.547 7.525 -3.510 1.00 0.00 H new ATOM 0 HG2 PRO A 79 4.440 7.269 -4.306 1.00 0.00 H new ATOM 0 HG3 PRO A 79 3.010 7.194 -5.316 1.00 0.00 H new ATOM 0 HD2 PRO A 79 4.524 9.451 -5.153 1.00 0.00 H new ATOM 0 HD3 PRO A 79 2.794 9.526 -5.419 1.00 0.00 H new ATOM 1206 N THR A 80 3.613 7.748 -0.322 1.00 0.00 N ATOM 1207 CA THR A 80 4.544 7.368 0.733 1.00 0.00 C ATOM 1208 C THR A 80 4.108 6.074 1.411 1.00 0.00 C ATOM 1209 O THR A 80 3.136 6.055 2.166 1.00 0.00 O ATOM 1210 CB THR A 80 4.670 8.475 1.796 1.00 0.00 C ATOM 1211 OG1 THR A 80 5.395 9.588 1.262 1.00 0.00 O ATOM 1212 CG2 THR A 80 5.376 7.953 3.039 1.00 0.00 C ATOM 0 H THR A 80 2.658 7.418 -0.181 1.00 0.00 H new ATOM 0 HA THR A 80 5.514 7.217 0.260 1.00 0.00 H new ATOM 0 HB THR A 80 3.666 8.796 2.074 1.00 0.00 H new ATOM 0 HG1 THR A 80 4.915 10.418 1.464 1.00 0.00 H new ATOM 0 HG21 THR A 80 5.454 8.752 3.776 1.00 0.00 H new ATOM 0 HG22 THR A 80 4.806 7.125 3.460 1.00 0.00 H new ATOM 0 HG23 THR A 80 6.375 7.607 2.772 1.00 0.00 H new ATOM 1220 N ILE A 81 4.834 4.995 1.138 1.00 0.00 N ATOM 1221 CA ILE A 81 4.522 3.697 1.724 1.00 0.00 C ATOM 1222 C ILE A 81 5.268 3.495 3.039 1.00 0.00 C ATOM 1223 O ILE A 81 6.409 3.931 3.191 1.00 0.00 O ATOM 1224 CB ILE A 81 4.876 2.546 0.764 1.00 0.00 C ATOM 1225 CG1 ILE A 81 3.950 2.566 -0.454 1.00 0.00 C ATOM 1226 CG2 ILE A 81 4.784 1.209 1.483 1.00 0.00 C ATOM 1227 CD1 ILE A 81 4.452 1.728 -1.609 1.00 0.00 C ATOM 0 H ILE A 81 5.642 4.994 0.515 1.00 0.00 H new ATOM 0 HA ILE A 81 3.448 3.685 1.912 1.00 0.00 H new ATOM 0 HB ILE A 81 5.901 2.682 0.420 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.965 2.207 -0.157 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.827 3.596 -0.790 1.00 0.00 H new ATOM 0 HG21 ILE A 81 5.037 0.406 0.791 1.00 0.00 H new ATOM 0 HG22 ILE A 81 5.480 1.198 2.322 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.769 1.064 1.852 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.746 1.789 -2.437 1.00 0.00 H new ATOM 0 HD12 ILE A 81 5.424 2.100 -1.933 1.00 0.00 H new ATOM 0 HD13 ILE A 81 4.548 0.690 -1.291 1.00 0.00 H new ATOM 1239 N TYR A 82 4.616 2.829 3.986 1.00 0.00 N ATOM 1240 CA TYR A 82 5.217 2.569 5.288 1.00 0.00 C ATOM 1241 C TYR A 82 4.967 1.129 5.725 1.00 0.00 C ATOM 1242 O TYR A 82 3.829 0.658 5.735 1.00 0.00 O ATOM 1243 CB TYR A 82 4.657 3.535 6.334 1.00 0.00 C ATOM 1244 CG TYR A 82 5.464 4.805 6.479 1.00 0.00 C ATOM 1245 CD1 TYR A 82 6.604 4.840 7.272 1.00 0.00 C ATOM 1246 CD2 TYR A 82 5.087 5.970 5.822 1.00 0.00 C ATOM 1247 CE1 TYR A 82 7.344 5.999 7.407 1.00 0.00 C ATOM 1248 CE2 TYR A 82 5.821 7.133 5.950 1.00 0.00 C ATOM 1249 CZ TYR A 82 6.949 7.142 6.745 1.00 0.00 C ATOM 1250 OH TYR A 82 7.684 8.298 6.876 1.00 0.00 O ATOM 0 H TYR A 82 3.672 2.460 3.876 1.00 0.00 H new ATOM 0 HA TYR A 82 6.293 2.722 5.200 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.633 3.794 6.066 1.00 0.00 H new ATOM 0 HB3 TYR A 82 4.615 3.029 7.298 1.00 0.00 H new ATOM 0 HD1 TYR A 82 6.917 3.946 7.792 1.00 0.00 H new ATOM 0 HD2 TYR A 82 4.204 5.966 5.200 1.00 0.00 H new ATOM 0 HE1 TYR A 82 8.228 6.009 8.028 1.00 0.00 H new ATOM 0 HE2 TYR A 82 5.514 8.029 5.431 1.00 0.00 H new ATOM 0 HH TYR A 82 7.271 9.010 6.344 1.00 0.00 H new ATOM 1260 N HIS A 83 6.040 0.433 6.087 1.00 0.00 N ATOM 1261 CA HIS A 83 5.940 -0.954 6.527 1.00 0.00 C ATOM 1262 C HIS A 83 5.850 -1.037 8.048 1.00 0.00 C ATOM 1263 O HIS A 83 6.815 -0.741 8.753 1.00 0.00 O ATOM 1264 CB HIS A 83 7.142 -1.757 6.031 1.00 0.00 C ATOM 1265 CG HIS A 83 7.084 -3.210 6.393 1.00 0.00 C ATOM 1266 ND1 HIS A 83 7.981 -3.808 7.252 1.00 0.00 N ATOM 1267 CD2 HIS A 83 6.226 -4.184 6.009 1.00 0.00 C ATOM 1268 CE1 HIS A 83 7.680 -5.088 7.379 1.00 0.00 C ATOM 1269 NE2 HIS A 83 6.618 -5.341 6.635 1.00 0.00 N ATOM 0 H HIS A 83 6.989 0.807 6.084 1.00 0.00 H new ATOM 0 HA HIS A 83 5.030 -1.378 6.103 1.00 0.00 H new ATOM 0 HB2 HIS A 83 7.208 -1.664 4.947 1.00 0.00 H new ATOM 0 HB3 HIS A 83 8.053 -1.324 6.444 1.00 0.00 H new ATOM 0 HD2 HIS A 83 5.389 -4.072 5.336 1.00 0.00 H new ATOM 0 HE1 HIS A 83 8.211 -5.805 7.987 1.00 0.00 H new ATOM 0 HE2 HIS A 83 6.163 -6.249 6.541 1.00 0.00 H new ATOM 1278 N CYS A 84 4.686 -1.440 8.546 1.00 0.00 N ATOM 1279 CA CYS A 84 4.470 -1.560 9.983 1.00 0.00 C ATOM 1280 C CYS A 84 4.490 -3.022 10.416 1.00 0.00 C ATOM 1281 O CYS A 84 3.635 -3.812 10.013 1.00 0.00 O ATOM 1282 CB CYS A 84 3.139 -0.917 10.376 1.00 0.00 C ATOM 1283 SG CYS A 84 2.985 -0.558 12.141 1.00 0.00 S ATOM 0 H CYS A 84 3.878 -1.689 7.976 1.00 0.00 H new ATOM 0 HA CYS A 84 5.281 -1.038 10.492 1.00 0.00 H new ATOM 0 HB2 CYS A 84 3.016 0.010 9.816 1.00 0.00 H new ATOM 0 HB3 CYS A 84 2.326 -1.579 10.079 1.00 0.00 H new ATOM 0 HG CYS A 84 3.163 0.714 12.342 1.00 0.00 H new ATOM 1289 N LYS A 85 5.471 -3.378 11.238 1.00 0.00 N ATOM 1290 CA LYS A 85 5.603 -4.745 11.726 1.00 0.00 C ATOM 1291 C LYS A 85 5.668 -4.776 13.250 1.00 0.00 C ATOM 1292 O LYS A 85 6.568 -4.193 13.854 1.00 0.00 O ATOM 1293 CB LYS A 85 6.856 -5.399 11.139 1.00 0.00 C ATOM 1294 CG LYS A 85 6.994 -6.871 11.487 1.00 0.00 C ATOM 1295 CD LYS A 85 8.321 -7.436 11.008 1.00 0.00 C ATOM 1296 CE LYS A 85 8.548 -8.846 11.530 1.00 0.00 C ATOM 1297 NZ LYS A 85 8.908 -8.851 12.975 1.00 0.00 N ATOM 0 H LYS A 85 6.187 -2.738 11.581 1.00 0.00 H new ATOM 0 HA LYS A 85 4.724 -5.304 11.406 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.838 -5.291 10.055 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.736 -4.865 11.498 1.00 0.00 H new ATOM 0 HG2 LYS A 85 6.911 -7.000 12.566 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.175 -7.431 11.035 1.00 0.00 H new ATOM 0 HD2 LYS A 85 8.343 -7.443 9.918 1.00 0.00 H new ATOM 0 HD3 LYS A 85 9.134 -6.789 11.339 1.00 0.00 H new ATOM 0 HE2 LYS A 85 7.646 -9.439 11.378 1.00 0.00 H new ATOM 0 HE3 LYS A 85 9.343 -9.322 10.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 9.154 -9.818 13.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 9.723 -8.224 13.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 8.099 -8.514 13.535 1.00 0.00 H new ATOM 1311 N ASP A 86 4.708 -5.459 13.864 1.00 0.00 N ATOM 1312 CA ASP A 86 4.658 -5.567 15.318 1.00 0.00 C ATOM 1313 C ASP A 86 4.907 -4.212 15.972 1.00 0.00 C ATOM 1314 O ASP A 86 5.463 -4.133 17.067 1.00 0.00 O ATOM 1315 CB ASP A 86 5.688 -6.583 15.811 1.00 0.00 C ATOM 1316 CG ASP A 86 5.320 -7.175 17.157 1.00 0.00 C ATOM 1317 OD1 ASP A 86 4.534 -6.539 17.889 1.00 0.00 O ATOM 1318 OD2 ASP A 86 5.818 -8.274 17.479 1.00 0.00 O ATOM 0 H ASP A 86 3.955 -5.946 13.378 1.00 0.00 H new ATOM 0 HA ASP A 86 3.661 -5.908 15.599 1.00 0.00 H new ATOM 0 HB2 ASP A 86 5.782 -7.385 15.079 1.00 0.00 H new ATOM 0 HB3 ASP A 86 6.663 -6.101 15.884 1.00 0.00 H new ATOM 1323 N GLY A 87 4.493 -3.147 15.293 1.00 0.00 N ATOM 1324 CA GLY A 87 4.682 -1.809 15.824 1.00 0.00 C ATOM 1325 C GLY A 87 5.776 -1.048 15.103 1.00 0.00 C ATOM 1326 O GLY A 87 5.622 0.134 14.799 1.00 0.00 O ATOM 0 H GLY A 87 4.030 -3.186 14.385 1.00 0.00 H new ATOM 0 HA2 GLY A 87 3.746 -1.255 15.746 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.927 -1.874 16.884 1.00 0.00 H new ATOM 1330 N GLU A 88 6.886 -1.728 14.830 1.00 0.00 N ATOM 1331 CA GLU A 88 8.012 -1.106 14.142 1.00 0.00 C ATOM 1332 C GLU A 88 7.550 -0.404 12.869 1.00 0.00 C ATOM 1333 O GLU A 88 6.500 -0.727 12.313 1.00 0.00 O ATOM 1334 CB GLU A 88 9.073 -2.155 13.803 1.00 0.00 C ATOM 1335 CG GLU A 88 9.882 -2.613 15.005 1.00 0.00 C ATOM 1336 CD GLU A 88 10.786 -1.523 15.548 1.00 0.00 C ATOM 1337 OE1 GLU A 88 10.257 -0.509 16.050 1.00 0.00 O ATOM 1338 OE2 GLU A 88 12.022 -1.684 15.472 1.00 0.00 O ATOM 0 H GLU A 88 7.029 -2.708 15.074 1.00 0.00 H new ATOM 0 HA GLU A 88 8.447 -0.362 14.809 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.586 -3.020 13.353 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.751 -1.745 13.054 1.00 0.00 H new ATOM 0 HG2 GLU A 88 9.203 -2.942 15.791 1.00 0.00 H new ATOM 0 HG3 GLU A 88 10.487 -3.475 14.724 1.00 0.00 H new ATOM 1345 N PHE A 89 8.343 0.560 12.411 1.00 0.00 N ATOM 1346 CA PHE A 89 8.016 1.311 11.204 1.00 0.00 C ATOM 1347 C PHE A 89 9.241 1.455 10.306 1.00 0.00 C ATOM 1348 O PHE A 89 10.337 1.757 10.777 1.00 0.00 O ATOM 1349 CB PHE A 89 7.471 2.693 11.570 1.00 0.00 C ATOM 1350 CG PHE A 89 6.029 2.678 11.988 1.00 0.00 C ATOM 1351 CD1 PHE A 89 5.035 2.342 11.084 1.00 0.00 C ATOM 1352 CD2 PHE A 89 5.667 2.999 13.287 1.00 0.00 C ATOM 1353 CE1 PHE A 89 3.707 2.326 11.466 1.00 0.00 C ATOM 1354 CE2 PHE A 89 4.341 2.985 13.674 1.00 0.00 C ATOM 1355 CZ PHE A 89 3.359 2.649 12.763 1.00 0.00 C ATOM 0 H PHE A 89 9.216 0.839 12.858 1.00 0.00 H new ATOM 0 HA PHE A 89 7.250 0.760 10.658 1.00 0.00 H new ATOM 0 HB2 PHE A 89 8.071 3.109 12.379 1.00 0.00 H new ATOM 0 HB3 PHE A 89 7.586 3.358 10.714 1.00 0.00 H new ATOM 0 HD1 PHE A 89 5.301 2.089 10.068 1.00 0.00 H new ATOM 0 HD2 PHE A 89 6.430 3.263 14.004 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.942 2.061 10.751 1.00 0.00 H new ATOM 0 HE2 PHE A 89 4.072 3.237 14.689 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.322 2.639 13.064 1.00 0.00 H new ATOM 1365 N ARG A 90 9.045 1.238 9.009 1.00 0.00 N ATOM 1366 CA ARG A 90 10.133 1.342 8.044 1.00 0.00 C ATOM 1367 C ARG A 90 9.646 1.969 6.742 1.00 0.00 C ATOM 1368 O ARG A 90 8.712 1.471 6.112 1.00 0.00 O ATOM 1369 CB ARG A 90 10.730 -0.039 7.766 1.00 0.00 C ATOM 1370 CG ARG A 90 11.654 -0.536 8.866 1.00 0.00 C ATOM 1371 CD ARG A 90 12.214 -1.912 8.542 1.00 0.00 C ATOM 1372 NE ARG A 90 13.038 -2.437 9.629 1.00 0.00 N ATOM 1373 CZ ARG A 90 12.539 -3.022 10.712 1.00 0.00 C ATOM 1374 NH1 ARG A 90 11.228 -3.156 10.853 1.00 0.00 N ATOM 1375 NH2 ARG A 90 13.353 -3.474 11.657 1.00 0.00 N ATOM 0 H ARG A 90 8.143 0.989 8.603 1.00 0.00 H new ATOM 0 HA ARG A 90 10.904 1.984 8.470 1.00 0.00 H new ATOM 0 HB2 ARG A 90 9.920 -0.756 7.633 1.00 0.00 H new ATOM 0 HB3 ARG A 90 11.283 -0.004 6.827 1.00 0.00 H new ATOM 0 HG2 ARG A 90 12.474 0.169 9.001 1.00 0.00 H new ATOM 0 HG3 ARG A 90 11.110 -0.576 9.810 1.00 0.00 H new ATOM 0 HD2 ARG A 90 11.392 -2.601 8.345 1.00 0.00 H new ATOM 0 HD3 ARG A 90 12.809 -1.856 7.630 1.00 0.00 H new ATOM 0 HE ARG A 90 14.051 -2.349 9.552 1.00 0.00 H new ATOM 0 HH11 ARG A 90 10.599 -2.809 10.129 1.00 0.00 H new ATOM 0 HH12 ARG A 90 10.848 -3.606 11.686 1.00 0.00 H new ATOM 0 HH21 ARG A 90 14.362 -3.372 11.552 1.00 0.00 H new ATOM 0 HH22 ARG A 90 12.969 -3.923 12.489 1.00 0.00 H new ATOM 1389 N ARG A 91 10.283 3.065 6.344 1.00 0.00 N ATOM 1390 CA ARG A 91 9.914 3.761 5.118 1.00 0.00 C ATOM 1391 C ARG A 91 10.324 2.954 3.889 1.00 0.00 C ATOM 1392 O ARG A 91 11.502 2.651 3.697 1.00 0.00 O ATOM 1393 CB ARG A 91 10.568 5.144 5.074 1.00 0.00 C ATOM 1394 CG ARG A 91 10.403 5.854 3.740 1.00 0.00 C ATOM 1395 CD ARG A 91 10.665 7.346 3.868 1.00 0.00 C ATOM 1396 NE ARG A 91 12.089 7.642 4.002 1.00 0.00 N ATOM 1397 CZ ARG A 91 12.576 8.873 4.119 1.00 0.00 C ATOM 1398 NH1 ARG A 91 11.758 9.916 4.118 1.00 0.00 N ATOM 1399 NH2 ARG A 91 13.884 9.061 4.237 1.00 0.00 N ATOM 0 H ARG A 91 11.058 3.490 6.853 1.00 0.00 H new ATOM 0 HA ARG A 91 8.830 3.878 5.110 1.00 0.00 H new ATOM 0 HB2 ARG A 91 10.140 5.764 5.861 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.631 5.041 5.292 1.00 0.00 H new ATOM 0 HG2 ARG A 91 11.089 5.424 3.010 1.00 0.00 H new ATOM 0 HG3 ARG A 91 9.393 5.692 3.362 1.00 0.00 H new ATOM 0 HD2 ARG A 91 10.269 7.860 2.992 1.00 0.00 H new ATOM 0 HD3 ARG A 91 10.131 7.735 4.735 1.00 0.00 H new ATOM 0 HE ARG A 91 12.745 6.861 4.006 1.00 0.00 H new ATOM 0 HH11 ARG A 91 10.752 9.775 4.027 1.00 0.00 H new ATOM 0 HH12 ARG A 91 12.135 10.860 4.208 1.00 0.00 H new ATOM 0 HH21 ARG A 91 14.516 8.261 4.238 1.00 0.00 H new ATOM 0 HH22 ARG A 91 14.257 10.006 4.327 1.00 0.00 H new ATOM 1413 N TYR A 92 9.344 2.608 3.062 1.00 0.00 N ATOM 1414 CA TYR A 92 9.602 1.833 1.854 1.00 0.00 C ATOM 1415 C TYR A 92 10.492 2.610 0.888 1.00 0.00 C ATOM 1416 O TYR A 92 10.057 3.583 0.274 1.00 0.00 O ATOM 1417 CB TYR A 92 8.285 1.466 1.167 1.00 0.00 C ATOM 1418 CG TYR A 92 8.443 0.455 0.055 1.00 0.00 C ATOM 1419 CD1 TYR A 92 8.806 0.853 -1.226 1.00 0.00 C ATOM 1420 CD2 TYR A 92 8.230 -0.899 0.284 1.00 0.00 C ATOM 1421 CE1 TYR A 92 8.951 -0.067 -2.246 1.00 0.00 C ATOM 1422 CE2 TYR A 92 8.375 -1.826 -0.730 1.00 0.00 C ATOM 1423 CZ TYR A 92 8.735 -1.405 -1.993 1.00 0.00 C ATOM 1424 OH TYR A 92 8.879 -2.326 -3.006 1.00 0.00 O ATOM 0 H TYR A 92 8.364 2.852 3.206 1.00 0.00 H new ATOM 0 HA TYR A 92 10.121 0.919 2.143 1.00 0.00 H new ATOM 0 HB2 TYR A 92 7.595 1.069 1.912 1.00 0.00 H new ATOM 0 HB3 TYR A 92 7.832 2.371 0.762 1.00 0.00 H new ATOM 0 HD1 TYR A 92 8.978 1.900 -1.428 1.00 0.00 H new ATOM 0 HD2 TYR A 92 7.946 -1.232 1.271 1.00 0.00 H new ATOM 0 HE1 TYR A 92 9.232 0.260 -3.236 1.00 0.00 H new ATOM 0 HE2 TYR A 92 8.207 -2.875 -0.535 1.00 0.00 H new ATOM 0 HH TYR A 92 9.671 -2.105 -3.539 1.00 0.00 H new ATOM 1434 N GLN A 93 11.740 2.170 0.760 1.00 0.00 N ATOM 1435 CA GLN A 93 12.692 2.823 -0.130 1.00 0.00 C ATOM 1436 C GLN A 93 12.925 1.988 -1.385 1.00 0.00 C ATOM 1437 O GLN A 93 13.957 1.333 -1.524 1.00 0.00 O ATOM 1438 CB GLN A 93 14.019 3.060 0.593 1.00 0.00 C ATOM 1439 CG GLN A 93 13.924 4.074 1.722 1.00 0.00 C ATOM 1440 CD GLN A 93 15.249 4.753 2.009 1.00 0.00 C ATOM 1441 OE1 GLN A 93 15.626 5.712 1.335 1.00 0.00 O ATOM 1442 NE2 GLN A 93 15.963 4.259 3.013 1.00 0.00 N ATOM 0 H GLN A 93 12.115 1.365 1.261 1.00 0.00 H new ATOM 0 HA GLN A 93 12.272 3.784 -0.428 1.00 0.00 H new ATOM 0 HB2 GLN A 93 14.378 2.113 0.996 1.00 0.00 H new ATOM 0 HB3 GLN A 93 14.761 3.401 -0.129 1.00 0.00 H new ATOM 0 HG2 GLN A 93 13.181 4.829 1.466 1.00 0.00 H new ATOM 0 HG3 GLN A 93 13.573 3.575 2.625 1.00 0.00 H new ATOM 0 HE21 GLN A 93 15.612 3.463 3.545 1.00 0.00 H new ATOM 0 HE22 GLN A 93 16.863 4.676 3.252 1.00 0.00 H new ATOM 1451 N GLY A 94 11.957 2.016 -2.296 1.00 0.00 N ATOM 1452 CA GLY A 94 12.076 1.257 -3.528 1.00 0.00 C ATOM 1453 C GLY A 94 11.307 1.885 -4.673 1.00 0.00 C ATOM 1454 O GLY A 94 10.752 2.977 -4.550 1.00 0.00 O ATOM 0 H GLY A 94 11.093 2.550 -2.203 1.00 0.00 H new ATOM 0 HA2 GLY A 94 13.128 1.177 -3.802 1.00 0.00 H new ATOM 0 HA3 GLY A 94 11.712 0.243 -3.363 1.00 0.00 H new ATOM 1458 N PRO A 95 11.269 1.188 -5.818 1.00 0.00 N ATOM 1459 CA PRO A 95 10.566 1.666 -7.012 1.00 0.00 C ATOM 1460 C PRO A 95 9.052 1.651 -6.839 1.00 0.00 C ATOM 1461 O PRO A 95 8.318 2.214 -7.652 1.00 0.00 O ATOM 1462 CB PRO A 95 10.991 0.671 -8.096 1.00 0.00 C ATOM 1463 CG PRO A 95 11.341 -0.572 -7.352 1.00 0.00 C ATOM 1464 CD PRO A 95 11.909 -0.120 -6.035 1.00 0.00 C ATOM 0 HA PRO A 95 10.814 2.702 -7.244 1.00 0.00 H new ATOM 0 HB2 PRO A 95 10.185 0.493 -8.808 1.00 0.00 H new ATOM 0 HB3 PRO A 95 11.842 1.045 -8.665 1.00 0.00 H new ATOM 0 HG2 PRO A 95 10.462 -1.199 -7.203 1.00 0.00 H new ATOM 0 HG3 PRO A 95 12.067 -1.167 -7.906 1.00 0.00 H new ATOM 0 HD2 PRO A 95 11.673 -0.821 -5.234 1.00 0.00 H new ATOM 0 HD3 PRO A 95 12.995 -0.034 -6.074 1.00 0.00 H new ATOM 1472 N ARG A 96 8.589 1.003 -5.774 1.00 0.00 N ATOM 1473 CA ARG A 96 7.161 0.914 -5.495 1.00 0.00 C ATOM 1474 C ARG A 96 6.430 0.196 -6.625 1.00 0.00 C ATOM 1475 O ARG A 96 5.358 0.624 -7.057 1.00 0.00 O ATOM 1476 CB ARG A 96 6.570 2.311 -5.297 1.00 0.00 C ATOM 1477 CG ARG A 96 6.886 2.920 -3.941 1.00 0.00 C ATOM 1478 CD ARG A 96 6.610 4.415 -3.923 1.00 0.00 C ATOM 1479 NE ARG A 96 7.784 5.193 -4.309 1.00 0.00 N ATOM 1480 CZ ARG A 96 8.737 5.557 -3.459 1.00 0.00 C ATOM 1481 NH1 ARG A 96 8.655 5.215 -2.180 1.00 0.00 N ATOM 1482 NH2 ARG A 96 9.775 6.264 -3.886 1.00 0.00 N ATOM 0 H ARG A 96 9.182 0.532 -5.091 1.00 0.00 H new ATOM 0 HA ARG A 96 7.031 0.339 -4.578 1.00 0.00 H new ATOM 0 HB2 ARG A 96 6.948 2.970 -6.079 1.00 0.00 H new ATOM 0 HB3 ARG A 96 5.488 2.259 -5.419 1.00 0.00 H new ATOM 0 HG2 ARG A 96 6.288 2.429 -3.173 1.00 0.00 H new ATOM 0 HG3 ARG A 96 7.932 2.739 -3.695 1.00 0.00 H new ATOM 0 HD2 ARG A 96 5.787 4.640 -4.601 1.00 0.00 H new ATOM 0 HD3 ARG A 96 6.290 4.713 -2.924 1.00 0.00 H new ATOM 0 HE ARG A 96 7.877 5.472 -5.286 1.00 0.00 H new ATOM 0 HH11 ARG A 96 7.859 4.671 -1.848 1.00 0.00 H new ATOM 0 HH12 ARG A 96 9.388 5.496 -1.529 1.00 0.00 H new ATOM 0 HH21 ARG A 96 9.842 6.529 -4.869 1.00 0.00 H new ATOM 0 HH22 ARG A 96 10.506 6.543 -3.232 1.00 0.00 H new ATOM 1496 N THR A 97 7.016 -0.898 -7.102 1.00 0.00 N ATOM 1497 CA THR A 97 6.421 -1.674 -8.183 1.00 0.00 C ATOM 1498 C THR A 97 5.866 -2.997 -7.668 1.00 0.00 C ATOM 1499 O THR A 97 6.335 -3.531 -6.663 1.00 0.00 O ATOM 1500 CB THR A 97 7.445 -1.959 -9.298 1.00 0.00 C ATOM 1501 OG1 THR A 97 8.699 -2.344 -8.725 1.00 0.00 O ATOM 1502 CG2 THR A 97 7.639 -0.735 -10.180 1.00 0.00 C ATOM 0 H THR A 97 7.902 -1.266 -6.757 1.00 0.00 H new ATOM 0 HA THR A 97 5.607 -1.076 -8.592 1.00 0.00 H new ATOM 0 HB THR A 97 7.062 -2.773 -9.913 1.00 0.00 H new ATOM 0 HG1 THR A 97 9.344 -2.525 -9.440 1.00 0.00 H new ATOM 0 HG21 THR A 97 8.366 -0.960 -10.960 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.688 -0.462 -10.638 1.00 0.00 H new ATOM 0 HG23 THR A 97 8.002 0.096 -9.575 1.00 0.00 H new ATOM 1510 N LYS A 98 4.864 -3.524 -8.364 1.00 0.00 N ATOM 1511 CA LYS A 98 4.245 -4.786 -7.980 1.00 0.00 C ATOM 1512 C LYS A 98 5.304 -5.829 -7.634 1.00 0.00 C ATOM 1513 O LYS A 98 5.303 -6.389 -6.538 1.00 0.00 O ATOM 1514 CB LYS A 98 3.353 -5.306 -9.109 1.00 0.00 C ATOM 1515 CG LYS A 98 2.228 -6.207 -8.631 1.00 0.00 C ATOM 1516 CD LYS A 98 1.789 -7.176 -9.716 1.00 0.00 C ATOM 1517 CE LYS A 98 2.575 -8.476 -9.654 1.00 0.00 C ATOM 1518 NZ LYS A 98 1.898 -9.570 -10.402 1.00 0.00 N ATOM 0 H LYS A 98 4.463 -3.095 -9.198 1.00 0.00 H new ATOM 0 HA LYS A 98 3.634 -4.607 -7.096 1.00 0.00 H new ATOM 0 HB2 LYS A 98 2.925 -4.457 -9.643 1.00 0.00 H new ATOM 0 HB3 LYS A 98 3.968 -5.854 -9.823 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.556 -6.766 -7.754 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.379 -5.597 -8.321 1.00 0.00 H new ATOM 0 HD2 LYS A 98 0.725 -7.387 -9.608 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.924 -6.714 -10.694 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.572 -8.318 -10.066 1.00 0.00 H new ATOM 0 HE3 LYS A 98 2.704 -8.773 -8.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.465 -10.439 -10.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 0.957 -9.739 -9.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 1.798 -9.298 -11.401 1.00 0.00 H new ATOM 1532 N LYS A 99 6.207 -6.083 -8.575 1.00 0.00 N ATOM 1533 CA LYS A 99 7.273 -7.055 -8.370 1.00 0.00 C ATOM 1534 C LYS A 99 8.063 -6.738 -7.104 1.00 0.00 C ATOM 1535 O LYS A 99 8.068 -7.519 -6.152 1.00 0.00 O ATOM 1536 CB LYS A 99 8.213 -7.075 -9.578 1.00 0.00 C ATOM 1537 CG LYS A 99 9.517 -7.810 -9.322 1.00 0.00 C ATOM 1538 CD LYS A 99 10.606 -7.364 -10.283 1.00 0.00 C ATOM 1539 CE LYS A 99 11.980 -7.417 -9.632 1.00 0.00 C ATOM 1540 NZ LYS A 99 13.062 -7.618 -10.636 1.00 0.00 N ATOM 0 H LYS A 99 6.221 -5.628 -9.488 1.00 0.00 H new ATOM 0 HA LYS A 99 6.816 -8.038 -8.256 1.00 0.00 H new ATOM 0 HB2 LYS A 99 7.701 -7.543 -10.419 1.00 0.00 H new ATOM 0 HB3 LYS A 99 8.436 -6.049 -9.872 1.00 0.00 H new ATOM 0 HG2 LYS A 99 9.840 -7.633 -8.296 1.00 0.00 H new ATOM 0 HG3 LYS A 99 9.357 -8.883 -9.425 1.00 0.00 H new ATOM 0 HD2 LYS A 99 10.596 -8.002 -11.167 1.00 0.00 H new ATOM 0 HD3 LYS A 99 10.401 -6.348 -10.621 1.00 0.00 H new ATOM 0 HE2 LYS A 99 12.159 -6.491 -9.086 1.00 0.00 H new ATOM 0 HE3 LYS A 99 12.006 -8.227 -8.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 13.983 -7.649 -10.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 12.906 -8.514 -11.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 13.054 -6.832 -11.317 1.00 0.00 H new ATOM 1554 N ASP A 100 8.727 -5.587 -7.099 1.00 0.00 N ATOM 1555 CA ASP A 100 9.517 -5.166 -5.948 1.00 0.00 C ATOM 1556 C ASP A 100 8.826 -5.549 -4.644 1.00 0.00 C ATOM 1557 O ASP A 100 9.369 -6.308 -3.840 1.00 0.00 O ATOM 1558 CB ASP A 100 9.753 -3.655 -5.990 1.00 0.00 C ATOM 1559 CG ASP A 100 11.057 -3.254 -5.330 1.00 0.00 C ATOM 1560 OD1 ASP A 100 12.118 -3.402 -5.973 1.00 0.00 O ATOM 1561 OD2 ASP A 100 11.017 -2.791 -4.171 1.00 0.00 O ATOM 0 H ASP A 100 8.734 -4.929 -7.879 1.00 0.00 H new ATOM 0 HA ASP A 100 10.478 -5.678 -5.992 1.00 0.00 H new ATOM 0 HB2 ASP A 100 9.756 -3.319 -7.027 1.00 0.00 H new ATOM 0 HB3 ASP A 100 8.926 -3.147 -5.493 1.00 0.00 H new ATOM 1566 N PHE A 101 7.624 -5.020 -4.439 1.00 0.00 N ATOM 1567 CA PHE A 101 6.859 -5.305 -3.231 1.00 0.00 C ATOM 1568 C PHE A 101 7.062 -6.750 -2.787 1.00 0.00 C ATOM 1569 O PHE A 101 7.596 -7.010 -1.708 1.00 0.00 O ATOM 1570 CB PHE A 101 5.371 -5.037 -3.469 1.00 0.00 C ATOM 1571 CG PHE A 101 5.040 -3.578 -3.609 1.00 0.00 C ATOM 1572 CD1 PHE A 101 5.602 -2.642 -2.757 1.00 0.00 C ATOM 1573 CD2 PHE A 101 4.167 -3.144 -4.593 1.00 0.00 C ATOM 1574 CE1 PHE A 101 5.298 -1.299 -2.883 1.00 0.00 C ATOM 1575 CE2 PHE A 101 3.860 -1.803 -4.725 1.00 0.00 C ATOM 1576 CZ PHE A 101 4.427 -0.879 -3.869 1.00 0.00 C ATOM 0 H PHE A 101 7.159 -4.392 -5.094 1.00 0.00 H new ATOM 0 HA PHE A 101 7.218 -4.647 -2.440 1.00 0.00 H new ATOM 0 HB2 PHE A 101 5.055 -5.561 -4.371 1.00 0.00 H new ATOM 0 HB3 PHE A 101 4.798 -5.454 -2.641 1.00 0.00 H new ATOM 0 HD1 PHE A 101 6.285 -2.965 -1.985 1.00 0.00 H new ATOM 0 HD2 PHE A 101 3.721 -3.862 -5.265 1.00 0.00 H new ATOM 0 HE1 PHE A 101 5.741 -0.579 -2.211 1.00 0.00 H new ATOM 0 HE2 PHE A 101 3.178 -1.478 -5.496 1.00 0.00 H new ATOM 0 HZ PHE A 101 4.190 0.170 -3.971 1.00 0.00 H new ATOM 1586 N ILE A 102 6.632 -7.687 -3.626 1.00 0.00 N ATOM 1587 CA ILE A 102 6.767 -9.106 -3.320 1.00 0.00 C ATOM 1588 C ILE A 102 8.035 -9.377 -2.519 1.00 0.00 C ATOM 1589 O ILE A 102 7.973 -9.771 -1.355 1.00 0.00 O ATOM 1590 CB ILE A 102 6.791 -9.958 -4.603 1.00 0.00 C ATOM 1591 CG1 ILE A 102 5.393 -10.027 -5.222 1.00 0.00 C ATOM 1592 CG2 ILE A 102 7.313 -11.354 -4.301 1.00 0.00 C ATOM 1593 CD1 ILE A 102 5.161 -8.999 -6.307 1.00 0.00 C ATOM 0 H ILE A 102 6.187 -7.489 -4.522 1.00 0.00 H new ATOM 0 HA ILE A 102 5.898 -9.385 -2.724 1.00 0.00 H new ATOM 0 HB ILE A 102 7.462 -9.488 -5.322 1.00 0.00 H new ATOM 0 HG12 ILE A 102 5.237 -11.023 -5.637 1.00 0.00 H new ATOM 0 HG13 ILE A 102 4.650 -9.889 -4.437 1.00 0.00 H new ATOM 0 HG21 ILE A 102 7.324 -11.944 -5.217 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.325 -11.286 -3.901 1.00 0.00 H new ATOM 0 HG23 ILE A 102 6.665 -11.834 -3.568 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.150 -9.107 -6.700 1.00 0.00 H new ATOM 0 HD12 ILE A 102 5.285 -7.998 -5.893 1.00 0.00 H new ATOM 0 HD13 ILE A 102 5.881 -9.150 -7.111 1.00 0.00 H new ATOM 1605 N ASN A 103 9.185 -9.162 -3.150 1.00 0.00 N ATOM 1606 CA ASN A 103 10.469 -9.383 -2.495 1.00 0.00 C ATOM 1607 C ASN A 103 10.523 -8.666 -1.149 1.00 0.00 C ATOM 1608 O ASN A 103 10.852 -9.267 -0.126 1.00 0.00 O ATOM 1609 CB ASN A 103 11.611 -8.899 -3.390 1.00 0.00 C ATOM 1610 CG ASN A 103 11.605 -9.571 -4.749 1.00 0.00 C ATOM 1611 OD1 ASN A 103 11.581 -10.798 -4.848 1.00 0.00 O ATOM 1612 ND2 ASN A 103 11.627 -8.767 -5.806 1.00 0.00 N ATOM 0 H ASN A 103 9.254 -8.835 -4.114 1.00 0.00 H new ATOM 0 HA ASN A 103 10.581 -10.453 -2.321 1.00 0.00 H new ATOM 0 HB2 ASN A 103 11.534 -7.820 -3.521 1.00 0.00 H new ATOM 0 HB3 ASN A 103 12.563 -9.093 -2.896 1.00 0.00 H new ATOM 0 HD21 ASN A 103 11.624 -9.161 -6.747 1.00 0.00 H new ATOM 0 HD22 ASN A 103 11.646 -7.755 -5.677 1.00 0.00 H new ATOM 1619 N PHE A 104 10.199 -7.377 -1.158 1.00 0.00 N ATOM 1620 CA PHE A 104 10.211 -6.577 0.061 1.00 0.00 C ATOM 1621 C PHE A 104 9.472 -7.293 1.189 1.00 0.00 C ATOM 1622 O PHE A 104 9.771 -7.092 2.366 1.00 0.00 O ATOM 1623 CB PHE A 104 9.573 -5.210 -0.194 1.00 0.00 C ATOM 1624 CG PHE A 104 9.500 -4.344 1.031 1.00 0.00 C ATOM 1625 CD1 PHE A 104 10.657 -3.881 1.638 1.00 0.00 C ATOM 1626 CD2 PHE A 104 8.276 -3.994 1.577 1.00 0.00 C ATOM 1627 CE1 PHE A 104 10.594 -3.084 2.765 1.00 0.00 C ATOM 1628 CE2 PHE A 104 8.207 -3.196 2.703 1.00 0.00 C ATOM 1629 CZ PHE A 104 9.367 -2.742 3.299 1.00 0.00 C ATOM 0 H PHE A 104 9.925 -6.864 -1.996 1.00 0.00 H new ATOM 0 HA PHE A 104 11.249 -6.435 0.362 1.00 0.00 H new ATOM 0 HB2 PHE A 104 10.143 -4.690 -0.963 1.00 0.00 H new ATOM 0 HB3 PHE A 104 8.567 -5.355 -0.587 1.00 0.00 H new ATOM 0 HD1 PHE A 104 11.619 -4.146 1.225 1.00 0.00 H new ATOM 0 HD2 PHE A 104 7.365 -4.349 1.117 1.00 0.00 H new ATOM 0 HE1 PHE A 104 11.503 -2.729 3.228 1.00 0.00 H new ATOM 0 HE2 PHE A 104 7.246 -2.927 3.117 1.00 0.00 H new ATOM 0 HZ PHE A 104 9.315 -2.121 4.181 1.00 0.00 H new ATOM 1639 N ILE A 105 8.508 -8.129 0.819 1.00 0.00 N ATOM 1640 CA ILE A 105 7.727 -8.875 1.798 1.00 0.00 C ATOM 1641 C ILE A 105 8.337 -10.248 2.057 1.00 0.00 C ATOM 1642 O ILE A 105 8.777 -10.544 3.168 1.00 0.00 O ATOM 1643 CB ILE A 105 6.268 -9.052 1.338 1.00 0.00 C ATOM 1644 CG1 ILE A 105 5.587 -7.690 1.193 1.00 0.00 C ATOM 1645 CG2 ILE A 105 5.506 -9.929 2.320 1.00 0.00 C ATOM 1646 CD1 ILE A 105 5.647 -6.847 2.448 1.00 0.00 C ATOM 0 H ILE A 105 8.249 -8.307 -0.151 1.00 0.00 H new ATOM 0 HA ILE A 105 7.740 -8.294 2.720 1.00 0.00 H new ATOM 0 HB ILE A 105 6.267 -9.543 0.365 1.00 0.00 H new ATOM 0 HG12 ILE A 105 6.057 -7.143 0.375 1.00 0.00 H new ATOM 0 HG13 ILE A 105 4.544 -7.842 0.917 1.00 0.00 H new ATOM 0 HG21 ILE A 105 4.476 -10.045 1.981 1.00 0.00 H new ATOM 0 HG22 ILE A 105 5.981 -10.908 2.378 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.514 -9.463 3.305 1.00 0.00 H new ATOM 0 HD11 ILE A 105 5.145 -5.896 2.272 1.00 0.00 H new ATOM 0 HD12 ILE A 105 5.152 -7.373 3.264 1.00 0.00 H new ATOM 0 HD13 ILE A 105 6.688 -6.664 2.714 1.00 0.00 H new ATOM 1658 N SER A 106 8.362 -11.083 1.023 1.00 0.00 N ATOM 1659 CA SER A 106 8.917 -12.426 1.138 1.00 0.00 C ATOM 1660 C SER A 106 10.361 -12.378 1.627 1.00 0.00 C ATOM 1661 O SER A 106 10.713 -13.010 2.623 1.00 0.00 O ATOM 1662 CB SER A 106 8.846 -13.148 -0.209 1.00 0.00 C ATOM 1663 OG SER A 106 9.512 -14.397 -0.154 1.00 0.00 O ATOM 0 H SER A 106 8.004 -10.853 0.096 1.00 0.00 H new ATOM 0 HA SER A 106 8.323 -12.976 1.868 1.00 0.00 H new ATOM 0 HB2 SER A 106 7.804 -13.300 -0.489 1.00 0.00 H new ATOM 0 HB3 SER A 106 9.296 -12.526 -0.983 1.00 0.00 H new ATOM 0 HG SER A 106 9.451 -14.839 -1.027 1.00 0.00 H new ATOM 1669 N ASP A 107 11.193 -11.622 0.918 1.00 0.00 N ATOM 1670 CA ASP A 107 12.600 -11.489 1.279 1.00 0.00 C ATOM 1671 C ASP A 107 12.764 -10.593 2.503 1.00 0.00 C ATOM 1672 O ASP A 107 13.883 -10.292 2.920 1.00 0.00 O ATOM 1673 CB ASP A 107 13.398 -10.920 0.105 1.00 0.00 C ATOM 1674 CG ASP A 107 13.497 -11.893 -1.053 1.00 0.00 C ATOM 1675 OD1 ASP A 107 12.439 -12.338 -1.547 1.00 0.00 O ATOM 1676 OD2 ASP A 107 14.632 -12.210 -1.467 1.00 0.00 O ATOM 0 H ASP A 107 10.918 -11.093 0.091 1.00 0.00 H new ATOM 0 HA ASP A 107 12.983 -12.480 1.522 1.00 0.00 H new ATOM 0 HB2 ASP A 107 12.927 -9.998 -0.238 1.00 0.00 H new ATOM 0 HB3 ASP A 107 14.401 -10.659 0.443 1.00 0.00 H new ATOM 1681 N LYS A 108 11.642 -10.170 3.075 1.00 0.00 N ATOM 1682 CA LYS A 108 11.660 -9.309 4.252 1.00 0.00 C ATOM 1683 C LYS A 108 12.783 -8.280 4.156 1.00 0.00 C ATOM 1684 O LYS A 108 13.410 -7.938 5.158 1.00 0.00 O ATOM 1685 CB LYS A 108 11.829 -10.148 5.520 1.00 0.00 C ATOM 1686 CG LYS A 108 10.814 -11.270 5.647 1.00 0.00 C ATOM 1687 CD LYS A 108 11.341 -12.404 6.509 1.00 0.00 C ATOM 1688 CE LYS A 108 10.375 -13.579 6.537 1.00 0.00 C ATOM 1689 NZ LYS A 108 10.751 -14.581 7.572 1.00 0.00 N ATOM 0 H LYS A 108 10.708 -10.410 2.742 1.00 0.00 H new ATOM 0 HA LYS A 108 10.709 -8.779 4.299 1.00 0.00 H new ATOM 0 HB2 LYS A 108 12.832 -10.574 5.533 1.00 0.00 H new ATOM 0 HB3 LYS A 108 11.748 -9.496 6.390 1.00 0.00 H new ATOM 0 HG2 LYS A 108 9.892 -10.881 6.080 1.00 0.00 H new ATOM 0 HG3 LYS A 108 10.565 -11.650 4.656 1.00 0.00 H new ATOM 0 HD2 LYS A 108 12.307 -12.735 6.126 1.00 0.00 H new ATOM 0 HD3 LYS A 108 11.507 -12.044 7.524 1.00 0.00 H new ATOM 0 HE2 LYS A 108 9.366 -13.215 6.733 1.00 0.00 H new ATOM 0 HE3 LYS A 108 10.357 -14.058 5.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 10.069 -15.366 7.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 11.703 -14.947 7.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 10.744 -14.131 8.510 1.00 0.00 H new ATOM 1703 N GLU A 109 13.030 -7.791 2.945 1.00 0.00 N ATOM 1704 CA GLU A 109 14.077 -6.801 2.720 1.00 0.00 C ATOM 1705 C GLU A 109 13.994 -5.678 3.750 1.00 0.00 C ATOM 1706 O GLU A 109 15.002 -5.058 4.090 1.00 0.00 O ATOM 1707 CB GLU A 109 13.968 -6.222 1.308 1.00 0.00 C ATOM 1708 CG GLU A 109 14.254 -7.234 0.212 1.00 0.00 C ATOM 1709 CD GLU A 109 14.731 -6.583 -1.072 1.00 0.00 C ATOM 1710 OE1 GLU A 109 15.748 -5.859 -1.029 1.00 0.00 O ATOM 1711 OE2 GLU A 109 14.088 -6.799 -2.121 1.00 0.00 O ATOM 0 H GLU A 109 12.520 -8.064 2.105 1.00 0.00 H new ATOM 0 HA GLU A 109 15.041 -7.299 2.827 1.00 0.00 H new ATOM 0 HB2 GLU A 109 12.965 -5.819 1.166 1.00 0.00 H new ATOM 0 HB3 GLU A 109 14.663 -5.388 1.212 1.00 0.00 H new ATOM 0 HG2 GLU A 109 15.010 -7.938 0.561 1.00 0.00 H new ATOM 0 HG3 GLU A 109 13.351 -7.810 0.009 1.00 0.00 H new ATOM 1718 N TRP A 110 12.787 -5.423 4.242 1.00 0.00 N ATOM 1719 CA TRP A 110 12.572 -4.375 5.233 1.00 0.00 C ATOM 1720 C TRP A 110 13.599 -4.467 6.356 1.00 0.00 C ATOM 1721 O TRP A 110 14.085 -3.451 6.852 1.00 0.00 O ATOM 1722 CB TRP A 110 11.158 -4.472 5.809 1.00 0.00 C ATOM 1723 CG TRP A 110 10.794 -5.854 6.261 1.00 0.00 C ATOM 1724 CD1 TRP A 110 10.127 -6.803 5.540 1.00 0.00 C ATOM 1725 CD2 TRP A 110 11.076 -6.440 7.536 1.00 0.00 C ATOM 1726 NE1 TRP A 110 9.978 -7.944 6.290 1.00 0.00 N ATOM 1727 CE2 TRP A 110 10.551 -7.748 7.518 1.00 0.00 C ATOM 1728 CE3 TRP A 110 11.722 -5.990 8.690 1.00 0.00 C ATOM 1729 CZ2 TRP A 110 10.653 -8.605 8.610 1.00 0.00 C ATOM 1730 CZ3 TRP A 110 11.821 -6.842 9.774 1.00 0.00 C ATOM 1731 CH2 TRP A 110 11.290 -8.138 9.727 1.00 0.00 C ATOM 0 H TRP A 110 11.943 -5.927 3.971 1.00 0.00 H new ATOM 0 HA TRP A 110 12.690 -3.412 4.737 1.00 0.00 H new ATOM 0 HB2 TRP A 110 11.069 -3.787 6.652 1.00 0.00 H new ATOM 0 HB3 TRP A 110 10.443 -4.144 5.055 1.00 0.00 H new ATOM 0 HD1 TRP A 110 9.769 -6.675 4.529 1.00 0.00 H new ATOM 0 HE1 TRP A 110 9.515 -8.799 5.982 1.00 0.00 H new ATOM 0 HE3 TRP A 110 12.137 -4.994 8.734 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 10.244 -9.604 8.577 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 12.316 -6.503 10.672 1.00 0.00 H new ATOM 0 HH2 TRP A 110 11.386 -8.781 10.590 1.00 0.00 H new ATOM 1742 N LYS A 111 13.927 -5.692 6.753 1.00 0.00 N ATOM 1743 CA LYS A 111 14.898 -5.918 7.816 1.00 0.00 C ATOM 1744 C LYS A 111 16.167 -5.107 7.575 1.00 0.00 C ATOM 1745 O LYS A 111 16.706 -4.492 8.495 1.00 0.00 O ATOM 1746 CB LYS A 111 15.242 -7.406 7.913 1.00 0.00 C ATOM 1747 CG LYS A 111 14.349 -8.176 8.871 1.00 0.00 C ATOM 1748 CD LYS A 111 14.818 -9.611 9.039 1.00 0.00 C ATOM 1749 CE LYS A 111 14.165 -10.534 8.021 1.00 0.00 C ATOM 1750 NZ LYS A 111 15.022 -11.712 7.710 1.00 0.00 N ATOM 0 H LYS A 111 13.534 -6.544 6.354 1.00 0.00 H new ATOM 0 HA LYS A 111 14.453 -5.592 8.756 1.00 0.00 H new ATOM 0 HB2 LYS A 111 15.168 -7.853 6.922 1.00 0.00 H new ATOM 0 HB3 LYS A 111 16.279 -7.510 8.233 1.00 0.00 H new ATOM 0 HG2 LYS A 111 14.341 -7.679 9.841 1.00 0.00 H new ATOM 0 HG3 LYS A 111 13.324 -8.168 8.500 1.00 0.00 H new ATOM 0 HD2 LYS A 111 15.902 -9.656 8.930 1.00 0.00 H new ATOM 0 HD3 LYS A 111 14.585 -9.956 10.046 1.00 0.00 H new ATOM 0 HE2 LYS A 111 13.204 -10.876 8.405 1.00 0.00 H new ATOM 0 HE3 LYS A 111 13.964 -9.979 7.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 14.542 -12.316 7.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 15.930 -11.388 7.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 15.193 -12.256 8.580 1.00 0.00 H new ATOM 1764 N SER A 112 16.639 -5.110 6.333 1.00 0.00 N ATOM 1765 CA SER A 112 17.846 -4.376 5.972 1.00 0.00 C ATOM 1766 C SER A 112 17.695 -2.891 6.289 1.00 0.00 C ATOM 1767 O SER A 112 18.673 -2.206 6.587 1.00 0.00 O ATOM 1768 CB SER A 112 18.157 -4.562 4.486 1.00 0.00 C ATOM 1769 OG SER A 112 19.503 -4.225 4.200 1.00 0.00 O ATOM 0 H SER A 112 16.204 -5.613 5.559 1.00 0.00 H new ATOM 0 HA SER A 112 18.672 -4.774 6.561 1.00 0.00 H new ATOM 0 HB2 SER A 112 17.969 -5.597 4.199 1.00 0.00 H new ATOM 0 HB3 SER A 112 17.489 -3.940 3.891 1.00 0.00 H new ATOM 0 HG SER A 112 19.677 -4.354 3.244 1.00 0.00 H new ATOM 1775 N ILE A 113 16.461 -2.402 6.223 1.00 0.00 N ATOM 1776 CA ILE A 113 16.180 -0.999 6.504 1.00 0.00 C ATOM 1777 C ILE A 113 16.041 -0.756 8.003 1.00 0.00 C ATOM 1778 O ILE A 113 15.365 -1.509 8.703 1.00 0.00 O ATOM 1779 CB ILE A 113 14.895 -0.530 5.798 1.00 0.00 C ATOM 1780 CG1 ILE A 113 14.998 -0.770 4.290 1.00 0.00 C ATOM 1781 CG2 ILE A 113 14.637 0.941 6.089 1.00 0.00 C ATOM 1782 CD1 ILE A 113 13.657 -0.822 3.593 1.00 0.00 C ATOM 0 H ILE A 113 15.640 -2.956 5.978 1.00 0.00 H new ATOM 0 HA ILE A 113 17.024 -0.425 6.122 1.00 0.00 H new ATOM 0 HB ILE A 113 14.055 -1.109 6.182 1.00 0.00 H new ATOM 0 HG12 ILE A 113 15.599 0.023 3.845 1.00 0.00 H new ATOM 0 HG13 ILE A 113 15.526 -1.707 4.115 1.00 0.00 H new ATOM 0 HG21 ILE A 113 13.725 1.258 5.583 1.00 0.00 H new ATOM 0 HG22 ILE A 113 14.524 1.085 7.164 1.00 0.00 H new ATOM 0 HG23 ILE A 113 15.477 1.536 5.729 1.00 0.00 H new ATOM 0 HD11 ILE A 113 13.807 -0.995 2.527 1.00 0.00 H new ATOM 0 HD12 ILE A 113 13.061 -1.633 4.012 1.00 0.00 H new ATOM 0 HD13 ILE A 113 13.135 0.124 3.737 1.00 0.00 H new ATOM 1794 N GLU A 114 16.685 0.301 8.488 1.00 0.00 N ATOM 1795 CA GLU A 114 16.632 0.644 9.904 1.00 0.00 C ATOM 1796 C GLU A 114 15.269 1.224 10.273 1.00 0.00 C ATOM 1797 O GLU A 114 14.830 2.236 9.728 1.00 0.00 O ATOM 1798 CB GLU A 114 17.735 1.646 10.251 1.00 0.00 C ATOM 1799 CG GLU A 114 19.099 1.005 10.450 1.00 0.00 C ATOM 1800 CD GLU A 114 20.154 2.002 10.887 1.00 0.00 C ATOM 1801 OE1 GLU A 114 20.081 2.477 12.040 1.00 0.00 O ATOM 1802 OE2 GLU A 114 21.053 2.307 10.076 1.00 0.00 O ATOM 0 H GLU A 114 17.249 0.934 7.921 1.00 0.00 H new ATOM 0 HA GLU A 114 16.787 -0.269 10.478 1.00 0.00 H new ATOM 0 HB2 GLU A 114 17.804 2.388 9.455 1.00 0.00 H new ATOM 0 HB3 GLU A 114 17.457 2.179 11.160 1.00 0.00 H new ATOM 0 HG2 GLU A 114 19.020 0.215 11.197 1.00 0.00 H new ATOM 0 HG3 GLU A 114 19.414 0.533 9.519 1.00 0.00 H new ATOM 1809 N PRO A 115 14.584 0.566 11.220 1.00 0.00 N ATOM 1810 CA PRO A 115 13.261 0.997 11.683 1.00 0.00 C ATOM 1811 C PRO A 115 13.323 2.292 12.487 1.00 0.00 C ATOM 1812 O PRO A 115 14.383 2.682 12.974 1.00 0.00 O ATOM 1813 CB PRO A 115 12.801 -0.162 12.570 1.00 0.00 C ATOM 1814 CG PRO A 115 14.061 -0.806 13.036 1.00 0.00 C ATOM 1815 CD PRO A 115 15.047 -0.648 11.912 1.00 0.00 C ATOM 0 HA PRO A 115 12.587 1.209 10.853 1.00 0.00 H new ATOM 0 HB2 PRO A 115 12.205 0.195 13.410 1.00 0.00 H new ATOM 0 HB3 PRO A 115 12.180 -0.864 12.014 1.00 0.00 H new ATOM 0 HG2 PRO A 115 14.428 -0.332 13.946 1.00 0.00 H new ATOM 0 HG3 PRO A 115 13.899 -1.859 13.268 1.00 0.00 H new ATOM 0 HD2 PRO A 115 16.065 -0.535 12.284 1.00 0.00 H new ATOM 0 HD3 PRO A 115 15.044 -1.514 11.250 1.00 0.00 H new ATOM 1823 N VAL A 116 12.178 2.953 12.623 1.00 0.00 N ATOM 1824 CA VAL A 116 12.101 4.203 13.370 1.00 0.00 C ATOM 1825 C VAL A 116 11.537 3.974 14.768 1.00 0.00 C ATOM 1826 O VAL A 116 10.642 3.151 14.960 1.00 0.00 O ATOM 1827 CB VAL A 116 11.227 5.240 12.640 1.00 0.00 C ATOM 1828 CG1 VAL A 116 11.822 5.576 11.280 1.00 0.00 C ATOM 1829 CG2 VAL A 116 9.802 4.730 12.496 1.00 0.00 C ATOM 0 H VAL A 116 11.291 2.644 12.226 1.00 0.00 H new ATOM 0 HA VAL A 116 13.118 4.587 13.450 1.00 0.00 H new ATOM 0 HB VAL A 116 11.203 6.153 13.236 1.00 0.00 H new ATOM 0 HG11 VAL A 116 11.191 6.310 10.778 1.00 0.00 H new ATOM 0 HG12 VAL A 116 12.823 5.987 11.412 1.00 0.00 H new ATOM 0 HG13 VAL A 116 11.878 4.672 10.674 1.00 0.00 H new ATOM 0 HG21 VAL A 116 9.199 5.476 11.978 1.00 0.00 H new ATOM 0 HG22 VAL A 116 9.804 3.803 11.923 1.00 0.00 H new ATOM 0 HG23 VAL A 116 9.380 4.545 13.484 1.00 0.00 H new ATOM 1839 N SER A 117 12.066 4.708 15.741 1.00 0.00 N ATOM 1840 CA SER A 117 11.618 4.583 17.123 1.00 0.00 C ATOM 1841 C SER A 117 11.049 5.905 17.631 1.00 0.00 C ATOM 1842 O SER A 117 11.401 6.369 18.715 1.00 0.00 O ATOM 1843 CB SER A 117 12.775 4.135 18.018 1.00 0.00 C ATOM 1844 OG SER A 117 13.641 5.217 18.312 1.00 0.00 O ATOM 0 H SER A 117 12.806 5.396 15.598 1.00 0.00 H new ATOM 0 HA SER A 117 10.830 3.831 17.157 1.00 0.00 H new ATOM 0 HB2 SER A 117 12.381 3.718 18.945 1.00 0.00 H new ATOM 0 HB3 SER A 117 13.335 3.341 17.524 1.00 0.00 H new ATOM 0 HG SER A 117 13.138 5.925 18.766 1.00 0.00 H new ATOM 1850 N SER A 118 10.167 6.506 16.839 1.00 0.00 N ATOM 1851 CA SER A 118 9.551 7.775 17.206 1.00 0.00 C ATOM 1852 C SER A 118 8.048 7.746 16.944 1.00 0.00 C ATOM 1853 O SER A 118 7.582 8.183 15.891 1.00 0.00 O ATOM 1854 CB SER A 118 10.194 8.923 16.424 1.00 0.00 C ATOM 1855 OG SER A 118 11.572 9.042 16.734 1.00 0.00 O ATOM 0 H SER A 118 9.863 6.134 15.939 1.00 0.00 H new ATOM 0 HA SER A 118 9.713 7.934 18.272 1.00 0.00 H new ATOM 0 HB2 SER A 118 10.072 8.752 15.354 1.00 0.00 H new ATOM 0 HB3 SER A 118 9.683 9.857 16.658 1.00 0.00 H new ATOM 0 HG SER A 118 11.960 9.781 16.221 1.00 0.00 H new ATOM 1861 N TRP A 119 7.296 7.229 17.908 1.00 0.00 N ATOM 1862 CA TRP A 119 5.845 7.142 17.782 1.00 0.00 C ATOM 1863 C TRP A 119 5.155 7.963 18.866 1.00 0.00 C ATOM 1864 O TRP A 119 5.099 7.556 20.026 1.00 0.00 O ATOM 1865 CB TRP A 119 5.392 5.684 17.864 1.00 0.00 C ATOM 1866 CG TRP A 119 3.902 5.525 17.881 1.00 0.00 C ATOM 1867 CD1 TRP A 119 3.121 5.232 18.963 1.00 0.00 C ATOM 1868 CD2 TRP A 119 3.014 5.648 16.764 1.00 0.00 C ATOM 1869 NE1 TRP A 119 1.801 5.166 18.585 1.00 0.00 N ATOM 1870 CE2 TRP A 119 1.709 5.418 17.242 1.00 0.00 C ATOM 1871 CE3 TRP A 119 3.195 5.933 15.408 1.00 0.00 C ATOM 1872 CZ2 TRP A 119 0.594 5.463 16.410 1.00 0.00 C ATOM 1873 CZ3 TRP A 119 2.086 5.977 14.584 1.00 0.00 C ATOM 1874 CH2 TRP A 119 0.799 5.744 15.087 1.00 0.00 C ATOM 0 H TRP A 119 7.666 6.864 18.786 1.00 0.00 H new ATOM 0 HA TRP A 119 5.564 7.548 16.810 1.00 0.00 H new ATOM 0 HB2 TRP A 119 5.799 5.136 17.014 1.00 0.00 H new ATOM 0 HB3 TRP A 119 5.809 5.232 18.764 1.00 0.00 H new ATOM 0 HD1 TRP A 119 3.487 5.075 19.967 1.00 0.00 H new ATOM 0 HE1 TRP A 119 1.017 4.962 19.205 1.00 0.00 H new ATOM 0 HE3 TRP A 119 4.183 6.115 15.011 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -0.399 5.282 16.796 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 2.214 6.195 13.534 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -0.047 5.787 14.417 1.00 0.00 H new ATOM 1885 N PHE A 120 4.630 9.122 18.480 1.00 0.00 N ATOM 1886 CA PHE A 120 3.944 10.001 19.419 1.00 0.00 C ATOM 1887 C PHE A 120 2.432 9.936 19.219 1.00 0.00 C ATOM 1888 O PHE A 120 1.853 10.762 18.513 1.00 0.00 O ATOM 1889 CB PHE A 120 4.431 11.441 19.252 1.00 0.00 C ATOM 1890 CG PHE A 120 4.025 12.346 20.380 1.00 0.00 C ATOM 1891 CD1 PHE A 120 4.810 12.454 21.516 1.00 0.00 C ATOM 1892 CD2 PHE A 120 2.857 13.089 20.304 1.00 0.00 C ATOM 1893 CE1 PHE A 120 4.440 13.287 22.555 1.00 0.00 C ATOM 1894 CE2 PHE A 120 2.482 13.923 21.340 1.00 0.00 C ATOM 1895 CZ PHE A 120 3.274 14.021 22.467 1.00 0.00 C ATOM 0 H PHE A 120 4.667 9.474 17.523 1.00 0.00 H new ATOM 0 HA PHE A 120 4.174 9.663 20.429 1.00 0.00 H new ATOM 0 HB2 PHE A 120 5.518 11.441 19.170 1.00 0.00 H new ATOM 0 HB3 PHE A 120 4.041 11.842 18.317 1.00 0.00 H new ATOM 0 HD1 PHE A 120 5.722 11.880 21.591 1.00 0.00 H new ATOM 0 HD2 PHE A 120 2.233 13.015 19.425 1.00 0.00 H new ATOM 0 HE1 PHE A 120 5.062 13.364 23.434 1.00 0.00 H new ATOM 0 HE2 PHE A 120 1.570 14.498 21.268 1.00 0.00 H new ATOM 0 HZ PHE A 120 2.982 14.671 23.278 1.00 0.00 H new ATOM 1905 N SER A 121 1.800 8.950 19.846 1.00 0.00 N ATOM 1906 CA SER A 121 0.356 8.774 19.734 1.00 0.00 C ATOM 1907 C SER A 121 -0.215 8.148 21.003 1.00 0.00 C ATOM 1908 O SER A 121 0.015 6.973 21.286 1.00 0.00 O ATOM 1909 CB SER A 121 0.020 7.900 18.524 1.00 0.00 C ATOM 1910 OG SER A 121 -1.378 7.864 18.294 1.00 0.00 O ATOM 0 H SER A 121 2.264 8.260 20.437 1.00 0.00 H new ATOM 0 HA SER A 121 -0.096 9.757 19.600 1.00 0.00 H new ATOM 0 HB2 SER A 121 0.527 8.286 17.640 1.00 0.00 H new ATOM 0 HB3 SER A 121 0.391 6.888 18.688 1.00 0.00 H new ATOM 0 HG SER A 121 -1.567 7.300 17.515 1.00 0.00 H new ATOM 1916 N GLY A 122 -0.961 8.943 21.764 1.00 0.00 N ATOM 1917 CA GLY A 122 -1.553 8.450 22.994 1.00 0.00 C ATOM 1918 C GLY A 122 -2.853 9.152 23.333 1.00 0.00 C ATOM 1919 O GLY A 122 -3.645 9.497 22.455 1.00 0.00 O ATOM 0 H GLY A 122 -1.166 9.919 21.551 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -1.735 7.379 22.902 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -0.847 8.584 23.813 1.00 0.00 H new ATOM 1923 N PRO A 123 -3.089 9.373 24.635 1.00 0.00 N ATOM 1924 CA PRO A 123 -4.302 10.039 25.117 1.00 0.00 C ATOM 1925 C PRO A 123 -4.331 11.522 24.761 1.00 0.00 C ATOM 1926 O PRO A 123 -3.779 12.354 25.481 1.00 0.00 O ATOM 1927 CB PRO A 123 -4.227 9.856 26.635 1.00 0.00 C ATOM 1928 CG PRO A 123 -2.775 9.696 26.926 1.00 0.00 C ATOM 1929 CD PRO A 123 -2.189 8.989 25.735 1.00 0.00 C ATOM 0 HA PRO A 123 -5.202 9.621 24.666 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -4.643 10.717 27.159 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -4.794 8.982 26.957 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -2.299 10.664 27.078 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -2.621 9.118 27.837 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -1.163 9.305 25.544 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -2.168 7.909 25.879 1.00 0.00 H new ATOM 1937 N SER A 124 -4.977 11.845 23.645 1.00 0.00 N ATOM 1938 CA SER A 124 -5.074 13.227 23.191 1.00 0.00 C ATOM 1939 C SER A 124 -6.216 13.952 23.897 1.00 0.00 C ATOM 1940 O SER A 124 -6.048 15.068 24.389 1.00 0.00 O ATOM 1941 CB SER A 124 -5.284 13.275 21.676 1.00 0.00 C ATOM 1942 OG SER A 124 -4.253 12.581 20.997 1.00 0.00 O ATOM 0 H SER A 124 -5.441 11.168 23.039 1.00 0.00 H new ATOM 0 HA SER A 124 -4.139 13.731 23.437 1.00 0.00 H new ATOM 0 HB2 SER A 124 -6.249 12.835 21.425 1.00 0.00 H new ATOM 0 HB3 SER A 124 -5.310 14.312 21.342 1.00 0.00 H new ATOM 0 HG SER A 124 -4.411 12.625 20.031 1.00 0.00 H new ATOM 1948 N SER A 125 -7.378 13.308 23.944 1.00 0.00 N ATOM 1949 CA SER A 125 -8.550 13.892 24.586 1.00 0.00 C ATOM 1950 C SER A 125 -8.621 13.489 26.056 1.00 0.00 C ATOM 1951 O SER A 125 -8.277 12.365 26.420 1.00 0.00 O ATOM 1952 CB SER A 125 -9.825 13.454 23.863 1.00 0.00 C ATOM 1953 OG SER A 125 -9.915 14.052 22.581 1.00 0.00 O ATOM 0 H SER A 125 -7.533 12.382 23.545 1.00 0.00 H new ATOM 0 HA SER A 125 -8.463 14.977 24.528 1.00 0.00 H new ATOM 0 HB2 SER A 125 -9.836 12.369 23.763 1.00 0.00 H new ATOM 0 HB3 SER A 125 -10.696 13.728 24.458 1.00 0.00 H new ATOM 0 HG SER A 125 -10.737 13.755 22.139 1.00 0.00 H new ATOM 1959 N GLY A 126 -9.072 14.415 26.896 1.00 0.00 N ATOM 1960 CA GLY A 126 -9.180 14.139 28.317 1.00 0.00 C ATOM 1961 C GLY A 126 -10.620 14.043 28.780 1.00 0.00 C ATOM 1962 O GLY A 126 -11.473 13.509 28.072 1.00 0.00 O ATOM 0 H GLY A 126 -9.365 15.352 26.618 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -8.666 13.205 28.543 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -8.673 14.925 28.876 1.00 0.00 H new TER 1966 GLY A 126