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 34 CYS SG : rot 171:sc= 0.815 USER MOD Set 1.2: A 37 CYS SG : rot 77:sc= -0.658 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (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 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.248 X(o=-0.25,f=-0.29) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.00719 USER MOD Single : A 16 ASN : amide:sc= -0.0625 K(o=-0.063,f=-0.75) USER MOD Single : A 26 MET CE :methyl 152:sc= -0.0426 (180deg=-0.913) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -1.25 K(o=-1.3,f=-4.3!) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 41 GLN :FLIP amide:sc= -0.957 F(o=-1.6!,f=-0.96) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0.516 K(o=0.52,f=-0.019) 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= -2.67! C(o=-2.7!,f=-5.6!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -0.335 K(o=-0.33,f=-3.3!) USER MOD Single : A 80 THR OG1 : rot -77:sc= 0.356 USER MOD Single : A 82 TYR OH : rot -98:sc= 0.83 USER MOD Single : A 83 HIS : no HD1:sc= -0.0925 X(o=-0.092,f=0.015) USER MOD Single : A 84 CYS SG : rot 114:sc= -1.08 USER MOD Single : A 85 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.444) USER MOD Single : A 92 TYR OH : rot -178:sc= 0.782 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.632 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 :FLIP amide:sc= -11! C(o=-12!,f=-11!) 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 -59:sc= 1.18 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot -103:sc= 0.435 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 45:sc= 1.09 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.400 -23.498 2.765 1.00 0.00 N ATOM 2 CA GLY A 1 -15.983 -22.345 3.425 1.00 0.00 C ATOM 3 C GLY A 1 -14.934 -21.389 3.956 1.00 0.00 C ATOM 4 O GLY A 1 -14.393 -21.592 5.044 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.158 -24.121 2.420 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.819 -23.182 1.962 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.804 -24.019 3.439 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.629 -21.817 2.724 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.613 -22.682 4.248 1.00 0.00 H new ATOM 8 N SER A 2 -14.643 -20.344 3.188 1.00 0.00 N ATOM 9 CA SER A 2 -13.647 -19.356 3.585 1.00 0.00 C ATOM 10 C SER A 2 -14.254 -17.957 3.621 1.00 0.00 C ATOM 11 O SER A 2 -15.239 -17.678 2.937 1.00 0.00 O ATOM 12 CB SER A 2 -12.458 -19.384 2.623 1.00 0.00 C ATOM 13 OG SER A 2 -11.388 -18.594 3.112 1.00 0.00 O ATOM 0 H SER A 2 -15.083 -20.160 2.287 1.00 0.00 H new ATOM 0 HA SER A 2 -13.300 -19.609 4.587 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.122 -20.412 2.485 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.769 -19.016 1.645 1.00 0.00 H new ATOM 0 HG SER A 2 -10.640 -18.630 2.480 1.00 0.00 H new ATOM 19 N SER A 3 -13.658 -17.081 4.424 1.00 0.00 N ATOM 20 CA SER A 3 -14.141 -15.711 4.553 1.00 0.00 C ATOM 21 C SER A 3 -14.115 -14.996 3.205 1.00 0.00 C ATOM 22 O SER A 3 -13.137 -15.082 2.463 1.00 0.00 O ATOM 23 CB SER A 3 -13.293 -14.942 5.567 1.00 0.00 C ATOM 24 OG SER A 3 -13.705 -13.589 5.655 1.00 0.00 O ATOM 0 H SER A 3 -12.840 -17.296 4.995 1.00 0.00 H new ATOM 0 HA SER A 3 -15.172 -15.747 4.905 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.374 -15.414 6.546 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.243 -14.988 5.277 1.00 0.00 H new ATOM 0 HG SER A 3 -13.148 -13.120 6.311 1.00 0.00 H new ATOM 30 N GLY A 4 -15.198 -14.290 2.895 1.00 0.00 N ATOM 31 CA GLY A 4 -15.280 -13.571 1.637 1.00 0.00 C ATOM 32 C GLY A 4 -14.408 -12.330 1.621 1.00 0.00 C ATOM 33 O GLY A 4 -14.581 -11.431 2.444 1.00 0.00 O ATOM 0 H GLY A 4 -16.020 -14.203 3.493 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.981 -14.232 0.824 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.316 -13.286 1.452 1.00 0.00 H new ATOM 37 N SER A 5 -13.468 -12.282 0.683 1.00 0.00 N ATOM 38 CA SER A 5 -12.562 -11.145 0.567 1.00 0.00 C ATOM 39 C SER A 5 -12.702 -10.476 -0.797 1.00 0.00 C ATOM 40 O SER A 5 -12.311 -11.038 -1.820 1.00 0.00 O ATOM 41 CB SER A 5 -11.115 -11.595 0.780 1.00 0.00 C ATOM 42 OG SER A 5 -10.300 -10.511 1.190 1.00 0.00 O ATOM 0 H SER A 5 -13.314 -13.017 -0.008 1.00 0.00 H new ATOM 0 HA SER A 5 -12.827 -10.421 1.337 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.083 -12.383 1.532 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.723 -12.020 -0.144 1.00 0.00 H new ATOM 0 HG SER A 5 -9.381 -10.824 1.321 1.00 0.00 H new ATOM 48 N SER A 6 -13.264 -9.271 -0.803 1.00 0.00 N ATOM 49 CA SER A 6 -13.460 -8.526 -2.041 1.00 0.00 C ATOM 50 C SER A 6 -12.410 -7.429 -2.187 1.00 0.00 C ATOM 51 O SER A 6 -11.608 -7.443 -3.120 1.00 0.00 O ATOM 52 CB SER A 6 -14.862 -7.913 -2.076 1.00 0.00 C ATOM 53 OG SER A 6 -15.113 -7.284 -3.320 1.00 0.00 O ATOM 0 H SER A 6 -13.591 -8.790 0.035 1.00 0.00 H new ATOM 0 HA SER A 6 -13.354 -9.220 -2.874 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.606 -8.690 -1.901 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.965 -7.186 -1.270 1.00 0.00 H new ATOM 0 HG SER A 6 -16.015 -6.902 -3.317 1.00 0.00 H new ATOM 59 N GLY A 7 -12.422 -6.479 -1.257 1.00 0.00 N ATOM 60 CA GLY A 7 -11.466 -5.388 -1.300 1.00 0.00 C ATOM 61 C GLY A 7 -10.126 -5.766 -0.701 1.00 0.00 C ATOM 62 O GLY A 7 -9.969 -5.791 0.519 1.00 0.00 O ATOM 0 H GLY A 7 -13.076 -6.445 -0.475 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.323 -5.075 -2.334 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.872 -4.532 -0.762 1.00 0.00 H new ATOM 66 N ASN A 8 -9.158 -6.063 -1.562 1.00 0.00 N ATOM 67 CA ASN A 8 -7.825 -6.445 -1.110 1.00 0.00 C ATOM 68 C ASN A 8 -7.196 -5.336 -0.273 1.00 0.00 C ATOM 69 O ASN A 8 -6.364 -5.596 0.597 1.00 0.00 O ATOM 70 CB ASN A 8 -6.930 -6.765 -2.310 1.00 0.00 C ATOM 71 CG ASN A 8 -7.685 -7.462 -3.425 1.00 0.00 C ATOM 72 OD1 ASN A 8 -7.979 -6.864 -4.459 1.00 0.00 O ATOM 73 ND2 ASN A 8 -8.002 -8.735 -3.218 1.00 0.00 N ATOM 0 H ASN A 8 -9.271 -6.047 -2.576 1.00 0.00 H new ATOM 0 HA ASN A 8 -7.920 -7.335 -0.488 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -6.495 -5.841 -2.692 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -6.103 -7.396 -1.985 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -8.510 -9.257 -3.932 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -7.738 -9.191 -2.345 1.00 0.00 H new ATOM 80 N VAL A 9 -7.598 -4.098 -0.542 1.00 0.00 N ATOM 81 CA VAL A 9 -7.076 -2.949 0.188 1.00 0.00 C ATOM 82 C VAL A 9 -7.947 -2.622 1.395 1.00 0.00 C ATOM 83 O VAL A 9 -9.172 -2.557 1.290 1.00 0.00 O ATOM 84 CB VAL A 9 -6.982 -1.706 -0.717 1.00 0.00 C ATOM 85 CG1 VAL A 9 -6.500 -0.502 0.079 1.00 0.00 C ATOM 86 CG2 VAL A 9 -6.065 -1.975 -1.900 1.00 0.00 C ATOM 0 H VAL A 9 -8.284 -3.865 -1.260 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.076 -3.218 0.529 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.977 -1.483 -1.102 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.440 0.367 -0.576 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -7.200 -0.298 0.889 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.515 -0.712 0.495 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.011 -1.086 -2.528 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.068 -2.225 -1.538 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.458 -2.808 -2.483 1.00 0.00 H new ATOM 96 N ARG A 10 -7.308 -2.415 2.541 1.00 0.00 N ATOM 97 CA ARG A 10 -8.025 -2.095 3.770 1.00 0.00 C ATOM 98 C ARG A 10 -7.991 -0.594 4.043 1.00 0.00 C ATOM 99 O ARG A 10 -7.046 0.097 3.661 1.00 0.00 O ATOM 100 CB ARG A 10 -7.418 -2.853 4.952 1.00 0.00 C ATOM 101 CG ARG A 10 -7.744 -4.337 4.955 1.00 0.00 C ATOM 102 CD ARG A 10 -9.023 -4.626 5.725 1.00 0.00 C ATOM 103 NE ARG A 10 -9.317 -6.055 5.781 1.00 0.00 N ATOM 104 CZ ARG A 10 -9.958 -6.712 4.820 1.00 0.00 C ATOM 105 NH1 ARG A 10 -10.368 -6.070 3.734 1.00 0.00 N ATOM 106 NH2 ARG A 10 -10.189 -8.012 4.944 1.00 0.00 N ATOM 0 H ARG A 10 -6.294 -2.463 2.645 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.064 -2.401 3.646 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -6.335 -2.727 4.936 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -7.777 -2.409 5.881 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -7.849 -4.690 3.929 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -6.917 -4.891 5.400 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -8.932 -4.235 6.738 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -9.855 -4.103 5.254 1.00 0.00 H new ATOM 0 HE ARG A 10 -9.014 -6.578 6.603 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -10.191 -5.070 3.635 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -10.860 -6.576 2.998 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -9.875 -8.509 5.778 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -10.681 -8.515 4.206 1.00 0.00 H new ATOM 120 N VAL A 11 -9.030 -0.095 4.706 1.00 0.00 N ATOM 121 CA VAL A 11 -9.120 1.324 5.031 1.00 0.00 C ATOM 122 C VAL A 11 -8.746 1.579 6.486 1.00 0.00 C ATOM 123 O VAL A 11 -9.468 1.183 7.402 1.00 0.00 O ATOM 124 CB VAL A 11 -10.537 1.870 4.773 1.00 0.00 C ATOM 125 CG1 VAL A 11 -10.649 3.309 5.251 1.00 0.00 C ATOM 126 CG2 VAL A 11 -10.889 1.761 3.297 1.00 0.00 C ATOM 0 H VAL A 11 -9.821 -0.652 5.028 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.415 1.843 4.382 1.00 0.00 H new ATOM 0 HB VAL A 11 -11.249 1.268 5.338 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.657 3.678 5.061 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -10.442 3.354 6.320 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.929 3.927 4.715 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.893 2.151 3.133 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -10.175 2.338 2.709 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.851 0.716 2.990 1.00 0.00 H new ATOM 136 N ILE A 12 -7.613 2.242 6.693 1.00 0.00 N ATOM 137 CA ILE A 12 -7.144 2.551 8.038 1.00 0.00 C ATOM 138 C ILE A 12 -7.560 3.958 8.455 1.00 0.00 C ATOM 139 O ILE A 12 -7.503 4.896 7.660 1.00 0.00 O ATOM 140 CB ILE A 12 -5.612 2.429 8.142 1.00 0.00 C ATOM 141 CG1 ILE A 12 -5.170 0.998 7.829 1.00 0.00 C ATOM 142 CG2 ILE A 12 -5.141 2.844 9.527 1.00 0.00 C ATOM 143 CD1 ILE A 12 -5.810 -0.041 8.723 1.00 0.00 C ATOM 0 H ILE A 12 -7.003 2.575 5.946 1.00 0.00 H new ATOM 0 HA ILE A 12 -7.604 1.825 8.708 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.158 3.097 7.410 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.411 0.771 6.791 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.086 0.932 7.926 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.056 2.752 9.585 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -5.428 3.879 9.714 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.600 2.199 10.276 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.451 -1.032 8.444 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -5.548 0.161 9.761 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.893 -0.002 8.608 1.00 0.00 H new ATOM 155 N THR A 13 -7.977 4.098 9.710 1.00 0.00 N ATOM 156 CA THR A 13 -8.402 5.389 10.234 1.00 0.00 C ATOM 157 C THR A 13 -7.663 5.729 11.524 1.00 0.00 C ATOM 158 O THR A 13 -6.745 5.018 11.930 1.00 0.00 O ATOM 159 CB THR A 13 -9.919 5.415 10.503 1.00 0.00 C ATOM 160 OG1 THR A 13 -10.266 4.398 11.449 1.00 0.00 O ATOM 161 CG2 THR A 13 -10.700 5.205 9.215 1.00 0.00 C ATOM 0 H THR A 13 -8.029 3.332 10.382 1.00 0.00 H new ATOM 0 HA THR A 13 -8.163 6.133 9.474 1.00 0.00 H new ATOM 0 HB THR A 13 -10.177 6.392 10.910 1.00 0.00 H new ATOM 0 HG1 THR A 13 -11.231 4.422 11.616 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.768 5.227 9.430 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.455 5.998 8.508 1.00 0.00 H new ATOM 0 HG23 THR A 13 -10.437 4.239 8.783 1.00 0.00 H new ATOM 169 N ASP A 14 -8.071 6.820 12.163 1.00 0.00 N ATOM 170 CA ASP A 14 -7.448 7.254 13.408 1.00 0.00 C ATOM 171 C ASP A 14 -7.759 6.279 14.540 1.00 0.00 C ATOM 172 O ASP A 14 -7.303 6.458 15.668 1.00 0.00 O ATOM 173 CB ASP A 14 -7.927 8.658 13.781 1.00 0.00 C ATOM 174 CG ASP A 14 -7.543 9.695 12.745 1.00 0.00 C ATOM 175 OD1 ASP A 14 -6.367 10.114 12.732 1.00 0.00 O ATOM 176 OD2 ASP A 14 -8.419 10.089 11.947 1.00 0.00 O ATOM 0 H ASP A 14 -8.830 7.420 11.840 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.369 7.275 13.257 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -9.011 8.650 13.898 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.504 8.939 14.746 1.00 0.00 H new ATOM 181 N GLU A 15 -8.539 5.249 14.228 1.00 0.00 N ATOM 182 CA GLU A 15 -8.912 4.247 15.220 1.00 0.00 C ATOM 183 C GLU A 15 -8.345 2.879 14.853 1.00 0.00 C ATOM 184 O GLU A 15 -7.810 2.168 15.703 1.00 0.00 O ATOM 185 CB GLU A 15 -10.435 4.163 15.344 1.00 0.00 C ATOM 186 CG GLU A 15 -10.905 3.466 16.610 1.00 0.00 C ATOM 187 CD GLU A 15 -10.556 4.241 17.866 1.00 0.00 C ATOM 188 OE1 GLU A 15 -11.289 5.195 18.199 1.00 0.00 O ATOM 189 OE2 GLU A 15 -9.549 3.891 18.517 1.00 0.00 O ATOM 0 H GLU A 15 -8.924 5.086 13.298 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.492 4.549 16.179 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.849 5.171 15.319 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.833 3.633 14.478 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -11.985 3.325 16.563 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.456 2.474 16.663 1.00 0.00 H new ATOM 196 N ASN A 16 -8.465 2.518 13.579 1.00 0.00 N ATOM 197 CA ASN A 16 -7.965 1.235 13.098 1.00 0.00 C ATOM 198 C ASN A 16 -6.440 1.212 13.095 1.00 0.00 C ATOM 199 O ASN A 16 -5.824 0.163 13.286 1.00 0.00 O ATOM 200 CB ASN A 16 -8.494 0.954 11.690 1.00 0.00 C ATOM 201 CG ASN A 16 -9.737 0.086 11.702 1.00 0.00 C ATOM 202 OD1 ASN A 16 -10.455 0.023 12.701 1.00 0.00 O ATOM 203 ND2 ASN A 16 -9.997 -0.590 10.589 1.00 0.00 N ATOM 0 H ASN A 16 -8.904 3.096 12.862 1.00 0.00 H new ATOM 0 HA ASN A 16 -8.320 0.458 13.774 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -8.718 1.898 11.194 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -7.717 0.463 11.104 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -10.819 -1.191 10.538 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -9.375 -0.508 9.785 1.00 0.00 H new ATOM 210 N TRP A 17 -5.837 2.376 12.878 1.00 0.00 N ATOM 211 CA TRP A 17 -4.383 2.489 12.851 1.00 0.00 C ATOM 212 C TRP A 17 -3.746 1.586 13.901 1.00 0.00 C ATOM 213 O TRP A 17 -2.764 0.897 13.626 1.00 0.00 O ATOM 214 CB TRP A 17 -3.960 3.941 13.085 1.00 0.00 C ATOM 215 CG TRP A 17 -3.834 4.296 14.535 1.00 0.00 C ATOM 216 CD1 TRP A 17 -4.652 5.124 15.250 1.00 0.00 C ATOM 217 CD2 TRP A 17 -2.830 3.836 15.446 1.00 0.00 C ATOM 218 NE1 TRP A 17 -4.217 5.206 16.551 1.00 0.00 N ATOM 219 CE2 TRP A 17 -3.101 4.424 16.697 1.00 0.00 C ATOM 220 CE3 TRP A 17 -1.730 2.983 15.328 1.00 0.00 C ATOM 221 CZ2 TRP A 17 -2.311 4.186 17.818 1.00 0.00 C ATOM 222 CZ3 TRP A 17 -0.946 2.748 16.441 1.00 0.00 C ATOM 223 CH2 TRP A 17 -1.240 3.347 17.674 1.00 0.00 C ATOM 0 H TRP A 17 -6.332 3.254 12.718 1.00 0.00 H new ATOM 0 HA TRP A 17 -4.037 2.170 11.868 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -3.005 4.118 12.591 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -4.688 4.604 12.618 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -5.514 5.639 14.851 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -4.654 5.759 17.288 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -1.496 2.515 14.383 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -2.536 4.648 18.768 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -0.092 2.092 16.360 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -0.609 3.142 18.526 1.00 0.00 H new ATOM 234 N ARG A 18 -4.312 1.593 15.103 1.00 0.00 N ATOM 235 CA ARG A 18 -3.798 0.774 16.194 1.00 0.00 C ATOM 236 C ARG A 18 -3.522 -0.650 15.722 1.00 0.00 C ATOM 237 O ARG A 18 -2.481 -1.227 16.034 1.00 0.00 O ATOM 238 CB ARG A 18 -4.792 0.754 17.357 1.00 0.00 C ATOM 239 CG ARG A 18 -4.578 1.874 18.361 1.00 0.00 C ATOM 240 CD ARG A 18 -5.654 1.872 19.436 1.00 0.00 C ATOM 241 NE ARG A 18 -5.335 0.954 20.527 1.00 0.00 N ATOM 242 CZ ARG A 18 -5.623 -0.343 20.504 1.00 0.00 C ATOM 243 NH1 ARG A 18 -6.231 -0.872 19.451 1.00 0.00 N ATOM 244 NH2 ARG A 18 -5.301 -1.113 21.535 1.00 0.00 N ATOM 0 H ARG A 18 -5.127 2.157 15.346 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.860 1.213 16.534 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.805 0.823 16.959 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.716 -0.204 17.872 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.598 1.765 18.826 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.581 2.833 17.844 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.772 2.880 19.833 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.609 1.590 18.993 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.866 1.329 21.351 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.479 -0.283 18.656 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.451 -1.868 19.436 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.832 -0.710 22.346 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.522 -2.109 21.517 1.00 0.00 H new ATOM 258 N GLU A 19 -4.463 -1.211 14.968 1.00 0.00 N ATOM 259 CA GLU A 19 -4.321 -2.568 14.454 1.00 0.00 C ATOM 260 C GLU A 19 -2.962 -2.758 13.788 1.00 0.00 C ATOM 261 O GLU A 19 -2.372 -3.838 13.851 1.00 0.00 O ATOM 262 CB GLU A 19 -5.438 -2.879 13.456 1.00 0.00 C ATOM 263 CG GLU A 19 -6.725 -3.353 14.111 1.00 0.00 C ATOM 264 CD GLU A 19 -6.714 -4.840 14.410 1.00 0.00 C ATOM 265 OE1 GLU A 19 -6.540 -5.633 13.461 1.00 0.00 O ATOM 266 OE2 GLU A 19 -6.881 -5.210 15.590 1.00 0.00 O ATOM 0 H GLU A 19 -5.331 -0.747 14.700 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.393 -3.257 15.296 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.647 -1.986 12.868 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.091 -3.644 12.761 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.881 -2.801 15.038 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.567 -3.124 13.458 1.00 0.00 H new ATOM 273 N LEU A 20 -2.470 -1.702 13.149 1.00 0.00 N ATOM 274 CA LEU A 20 -1.180 -1.751 12.470 1.00 0.00 C ATOM 275 C LEU A 20 -0.083 -2.225 13.418 1.00 0.00 C ATOM 276 O LEU A 20 0.889 -2.853 12.996 1.00 0.00 O ATOM 277 CB LEU A 20 -0.824 -0.374 11.908 1.00 0.00 C ATOM 278 CG LEU A 20 -1.891 0.291 11.037 1.00 0.00 C ATOM 279 CD1 LEU A 20 -1.590 1.772 10.862 1.00 0.00 C ATOM 280 CD2 LEU A 20 -1.982 -0.400 9.685 1.00 0.00 C ATOM 0 H LEU A 20 -2.945 -0.802 13.087 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.257 -2.463 11.648 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.599 0.290 12.743 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.089 -0.468 11.321 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.854 0.194 11.538 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.360 2.229 10.240 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.576 2.258 11.837 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.618 1.892 10.383 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.746 0.086 9.079 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.020 -0.334 9.177 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.246 -1.448 9.829 1.00 0.00 H new ATOM 292 N LEU A 21 -0.246 -1.921 14.701 1.00 0.00 N ATOM 293 CA LEU A 21 0.730 -2.318 15.711 1.00 0.00 C ATOM 294 C LEU A 21 0.869 -3.836 15.767 1.00 0.00 C ATOM 295 O LEU A 21 1.918 -4.358 16.144 1.00 0.00 O ATOM 296 CB LEU A 21 0.320 -1.780 17.083 1.00 0.00 C ATOM 297 CG LEU A 21 0.127 -0.267 17.181 1.00 0.00 C ATOM 298 CD1 LEU A 21 -0.659 0.091 18.433 1.00 0.00 C ATOM 299 CD2 LEU A 21 1.473 0.444 17.173 1.00 0.00 C ATOM 0 H LEU A 21 -1.044 -1.401 15.067 1.00 0.00 H new ATOM 0 HA LEU A 21 1.695 -1.894 15.435 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.611 -2.265 17.377 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.077 -2.077 17.808 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.442 0.064 16.312 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.787 1.172 18.486 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.637 -0.388 18.398 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.117 -0.254 19.314 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.316 1.520 17.243 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.067 0.107 18.022 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.001 0.214 16.247 1.00 0.00 H new ATOM 311 N GLU A 22 -0.195 -4.537 15.389 1.00 0.00 N ATOM 312 CA GLU A 22 -0.190 -5.995 15.395 1.00 0.00 C ATOM 313 C GLU A 22 -0.037 -6.545 13.980 1.00 0.00 C ATOM 314 O GLU A 22 -0.629 -6.027 13.034 1.00 0.00 O ATOM 315 CB GLU A 22 -1.478 -6.529 16.025 1.00 0.00 C ATOM 316 CG GLU A 22 -2.737 -5.870 15.488 1.00 0.00 C ATOM 317 CD GLU A 22 -4.004 -6.518 16.012 1.00 0.00 C ATOM 318 OE1 GLU A 22 -4.460 -6.127 17.106 1.00 0.00 O ATOM 319 OE2 GLU A 22 -4.538 -7.416 15.328 1.00 0.00 O ATOM 0 H GLU A 22 -1.071 -4.119 15.075 1.00 0.00 H new ATOM 0 HA GLU A 22 0.661 -6.327 15.989 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.539 -7.604 15.852 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.433 -6.382 17.104 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.734 -4.814 15.760 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.732 -5.919 14.399 1.00 0.00 H new ATOM 326 N GLY A 23 0.762 -7.598 13.843 1.00 0.00 N ATOM 327 CA GLY A 23 0.980 -8.201 12.541 1.00 0.00 C ATOM 328 C GLY A 23 1.595 -7.233 11.550 1.00 0.00 C ATOM 329 O GLY A 23 1.943 -6.107 11.906 1.00 0.00 O ATOM 0 H GLY A 23 1.263 -8.045 14.611 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.632 -9.068 12.650 1.00 0.00 H new ATOM 0 HA3 GLY A 23 0.030 -8.564 12.148 1.00 0.00 H new ATOM 333 N ASP A 24 1.732 -7.673 10.304 1.00 0.00 N ATOM 334 CA ASP A 24 2.311 -6.838 9.258 1.00 0.00 C ATOM 335 C ASP A 24 1.225 -6.063 8.518 1.00 0.00 C ATOM 336 O ASP A 24 0.242 -6.642 8.055 1.00 0.00 O ATOM 337 CB ASP A 24 3.105 -7.696 8.271 1.00 0.00 C ATOM 338 CG ASP A 24 4.178 -8.520 8.955 1.00 0.00 C ATOM 339 OD1 ASP A 24 4.622 -8.123 10.052 1.00 0.00 O ATOM 340 OD2 ASP A 24 4.573 -9.563 8.392 1.00 0.00 O ATOM 0 H ASP A 24 1.450 -8.603 9.994 1.00 0.00 H new ATOM 0 HA ASP A 24 2.985 -6.123 9.730 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.423 -8.361 7.741 1.00 0.00 H new ATOM 0 HB3 ASP A 24 3.567 -7.051 7.523 1.00 0.00 H new ATOM 345 N TRP A 25 1.409 -4.752 8.411 1.00 0.00 N ATOM 346 CA TRP A 25 0.444 -3.898 7.728 1.00 0.00 C ATOM 347 C TRP A 25 1.142 -2.967 6.743 1.00 0.00 C ATOM 348 O TRP A 25 2.046 -2.220 7.116 1.00 0.00 O ATOM 349 CB TRP A 25 -0.354 -3.080 8.745 1.00 0.00 C ATOM 350 CG TRP A 25 -1.425 -3.870 9.434 1.00 0.00 C ATOM 351 CD1 TRP A 25 -1.255 -4.774 10.444 1.00 0.00 C ATOM 352 CD2 TRP A 25 -2.830 -3.829 9.162 1.00 0.00 C ATOM 353 NE1 TRP A 25 -2.471 -5.296 10.816 1.00 0.00 N ATOM 354 CE2 TRP A 25 -3.452 -4.732 10.045 1.00 0.00 C ATOM 355 CE3 TRP A 25 -3.623 -3.116 8.259 1.00 0.00 C ATOM 356 CZ2 TRP A 25 -4.829 -4.940 10.049 1.00 0.00 C ATOM 357 CZ3 TRP A 25 -4.989 -3.323 8.264 1.00 0.00 C ATOM 358 CH2 TRP A 25 -5.581 -4.228 9.155 1.00 0.00 C ATOM 0 H TRP A 25 2.217 -4.257 8.788 1.00 0.00 H new ATOM 0 HA TRP A 25 -0.240 -4.538 7.171 1.00 0.00 H new ATOM 0 HB2 TRP A 25 0.329 -2.678 9.493 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -0.809 -2.229 8.239 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -0.306 -5.039 10.885 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -2.619 -5.991 11.548 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -3.176 -2.415 7.569 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -5.287 -5.639 10.734 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -5.611 -2.778 7.569 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -6.652 -4.366 9.136 1.00 0.00 H new ATOM 369 N MET A 26 0.717 -3.017 5.485 1.00 0.00 N ATOM 370 CA MET A 26 1.302 -2.175 4.447 1.00 0.00 C ATOM 371 C MET A 26 0.442 -0.940 4.201 1.00 0.00 C ATOM 372 O MET A 26 -0.658 -1.036 3.656 1.00 0.00 O ATOM 373 CB MET A 26 1.461 -2.967 3.148 1.00 0.00 C ATOM 374 CG MET A 26 2.754 -3.763 3.076 1.00 0.00 C ATOM 375 SD MET A 26 4.217 -2.709 3.030 1.00 0.00 S ATOM 376 CE MET A 26 4.413 -2.479 1.265 1.00 0.00 C ATOM 0 H MET A 26 -0.030 -3.631 5.159 1.00 0.00 H new ATOM 0 HA MET A 26 2.285 -1.850 4.788 1.00 0.00 H new ATOM 0 HB2 MET A 26 0.618 -3.649 3.043 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.421 -2.278 2.305 1.00 0.00 H new ATOM 0 HG2 MET A 26 2.816 -4.427 3.938 1.00 0.00 H new ATOM 0 HG3 MET A 26 2.738 -4.395 2.188 1.00 0.00 H new ATOM 0 HE1 MET A 26 4.902 -1.523 1.075 1.00 0.00 H new ATOM 0 HE2 MET A 26 5.023 -3.286 0.858 1.00 0.00 H new ATOM 0 HE3 MET A 26 3.434 -2.487 0.786 1.00 0.00 H new ATOM 386 N ILE A 27 0.951 0.220 4.605 1.00 0.00 N ATOM 387 CA ILE A 27 0.229 1.473 4.427 1.00 0.00 C ATOM 388 C ILE A 27 0.808 2.281 3.271 1.00 0.00 C ATOM 389 O ILE A 27 2.011 2.241 3.014 1.00 0.00 O ATOM 390 CB ILE A 27 0.265 2.330 5.706 1.00 0.00 C ATOM 391 CG1 ILE A 27 -0.256 1.526 6.899 1.00 0.00 C ATOM 392 CG2 ILE A 27 -0.554 3.598 5.517 1.00 0.00 C ATOM 393 CD1 ILE A 27 0.150 2.102 8.238 1.00 0.00 C ATOM 0 H ILE A 27 1.860 0.317 5.057 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.805 1.212 4.203 1.00 0.00 H new ATOM 0 HB ILE A 27 1.298 2.614 5.906 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.344 1.478 6.848 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.112 0.503 6.826 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.519 4.193 6.429 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.143 4.177 4.690 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.588 3.334 5.296 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.254 1.482 9.038 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.237 2.125 8.310 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.241 3.115 8.332 1.00 0.00 H new ATOM 405 N GLU A 28 -0.056 3.017 2.578 1.00 0.00 N ATOM 406 CA GLU A 28 0.371 3.835 1.450 1.00 0.00 C ATOM 407 C GLU A 28 -0.455 5.116 1.363 1.00 0.00 C ATOM 408 O GLU A 28 -1.660 5.075 1.115 1.00 0.00 O ATOM 409 CB GLU A 28 0.248 3.047 0.144 1.00 0.00 C ATOM 410 CG GLU A 28 -1.188 2.810 -0.292 1.00 0.00 C ATOM 411 CD GLU A 28 -1.719 3.919 -1.179 1.00 0.00 C ATOM 412 OE1 GLU A 28 -0.898 4.680 -1.733 1.00 0.00 O ATOM 413 OE2 GLU A 28 -2.955 4.027 -1.319 1.00 0.00 O ATOM 0 H GLU A 28 -1.055 3.063 2.778 1.00 0.00 H new ATOM 0 HA GLU A 28 1.415 4.106 1.606 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.774 3.584 -0.645 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.746 2.085 0.262 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.250 1.862 -0.826 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.822 2.721 0.590 1.00 0.00 H new ATOM 420 N PHE A 29 0.202 6.252 1.570 1.00 0.00 N ATOM 421 CA PHE A 29 -0.470 7.545 1.517 1.00 0.00 C ATOM 422 C PHE A 29 -0.593 8.035 0.078 1.00 0.00 C ATOM 423 O PHE A 29 0.404 8.170 -0.632 1.00 0.00 O ATOM 424 CB PHE A 29 0.291 8.574 2.355 1.00 0.00 C ATOM 425 CG PHE A 29 0.339 8.239 3.818 1.00 0.00 C ATOM 426 CD1 PHE A 29 1.144 7.210 4.281 1.00 0.00 C ATOM 427 CD2 PHE A 29 -0.421 8.952 4.731 1.00 0.00 C ATOM 428 CE1 PHE A 29 1.190 6.899 5.627 1.00 0.00 C ATOM 429 CE2 PHE A 29 -0.379 8.646 6.078 1.00 0.00 C ATOM 430 CZ PHE A 29 0.427 7.617 6.527 1.00 0.00 C ATOM 0 H PHE A 29 1.200 6.304 1.776 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.472 7.423 1.927 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.310 8.657 1.976 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.177 9.550 2.229 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.742 6.645 3.582 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.054 9.756 4.386 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.822 6.095 5.975 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.976 9.211 6.779 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.460 7.375 7.579 1.00 0.00 H new ATOM 440 N TYR A 30 -1.824 8.301 -0.347 1.00 0.00 N ATOM 441 CA TYR A 30 -2.079 8.773 -1.703 1.00 0.00 C ATOM 442 C TYR A 30 -2.891 10.065 -1.685 1.00 0.00 C ATOM 443 O TYR A 30 -3.343 10.513 -0.632 1.00 0.00 O ATOM 444 CB TYR A 30 -2.819 7.704 -2.507 1.00 0.00 C ATOM 445 CG TYR A 30 -4.289 7.599 -2.168 1.00 0.00 C ATOM 446 CD1 TYR A 30 -5.209 8.499 -2.691 1.00 0.00 C ATOM 447 CD2 TYR A 30 -4.757 6.599 -1.324 1.00 0.00 C ATOM 448 CE1 TYR A 30 -6.552 8.407 -2.382 1.00 0.00 C ATOM 449 CE2 TYR A 30 -6.099 6.499 -1.011 1.00 0.00 C ATOM 450 CZ TYR A 30 -6.992 7.406 -1.542 1.00 0.00 C ATOM 451 OH TYR A 30 -8.330 7.310 -1.234 1.00 0.00 O ATOM 0 H TYR A 30 -2.660 8.198 0.228 1.00 0.00 H new ATOM 0 HA TYR A 30 -1.119 8.974 -2.178 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -2.715 7.924 -3.570 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.345 6.738 -2.333 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.868 9.284 -3.350 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -4.060 5.888 -0.906 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -7.254 9.116 -2.796 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -6.447 5.715 -0.354 1.00 0.00 H new ATOM 0 HH TYR A 30 -8.473 6.550 -0.632 1.00 0.00 H new ATOM 461 N ALA A 31 -3.071 10.659 -2.860 1.00 0.00 N ATOM 462 CA ALA A 31 -3.830 11.897 -2.982 1.00 0.00 C ATOM 463 C ALA A 31 -4.618 11.932 -4.288 1.00 0.00 C ATOM 464 O ALA A 31 -4.120 11.560 -5.351 1.00 0.00 O ATOM 465 CB ALA A 31 -2.899 13.098 -2.893 1.00 0.00 C ATOM 0 H ALA A 31 -2.701 10.302 -3.741 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.542 11.940 -2.157 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.479 14.016 -2.986 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.385 13.089 -1.932 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.165 13.050 -3.698 1.00 0.00 H new ATOM 471 N PRO A 32 -5.876 12.389 -4.208 1.00 0.00 N ATOM 472 CA PRO A 32 -6.759 12.483 -5.375 1.00 0.00 C ATOM 473 C PRO A 32 -6.321 13.573 -6.347 1.00 0.00 C ATOM 474 O PRO A 32 -6.685 13.551 -7.523 1.00 0.00 O ATOM 475 CB PRO A 32 -8.119 12.827 -4.763 1.00 0.00 C ATOM 476 CG PRO A 32 -7.796 13.498 -3.472 1.00 0.00 C ATOM 477 CD PRO A 32 -6.534 12.849 -2.974 1.00 0.00 C ATOM 0 HA PRO A 32 -6.760 11.564 -5.961 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -8.693 13.483 -5.417 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.719 11.931 -4.604 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -7.654 14.569 -3.614 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -8.607 13.376 -2.755 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.910 13.554 -2.425 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.748 12.020 -2.300 1.00 0.00 H new ATOM 485 N TRP A 33 -5.538 14.523 -5.849 1.00 0.00 N ATOM 486 CA TRP A 33 -5.050 15.621 -6.675 1.00 0.00 C ATOM 487 C TRP A 33 -3.631 15.348 -7.162 1.00 0.00 C ATOM 488 O TRP A 33 -3.158 15.978 -8.108 1.00 0.00 O ATOM 489 CB TRP A 33 -5.090 16.934 -5.890 1.00 0.00 C ATOM 490 CG TRP A 33 -4.925 16.747 -4.413 1.00 0.00 C ATOM 491 CD1 TRP A 33 -5.885 16.907 -3.454 1.00 0.00 C ATOM 492 CD2 TRP A 33 -3.729 16.367 -3.725 1.00 0.00 C ATOM 493 NE1 TRP A 33 -5.357 16.649 -2.212 1.00 0.00 N ATOM 494 CE2 TRP A 33 -4.036 16.315 -2.351 1.00 0.00 C ATOM 495 CE3 TRP A 33 -2.428 16.063 -4.135 1.00 0.00 C ATOM 496 CZ2 TRP A 33 -3.089 15.973 -1.389 1.00 0.00 C ATOM 497 CZ3 TRP A 33 -1.489 15.725 -3.179 1.00 0.00 C ATOM 498 CH2 TRP A 33 -1.824 15.681 -1.819 1.00 0.00 C ATOM 0 H TRP A 33 -5.228 14.555 -4.878 1.00 0.00 H new ATOM 0 HA TRP A 33 -5.702 15.706 -7.545 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -4.302 17.592 -6.256 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -6.039 17.435 -6.082 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -6.909 17.194 -3.644 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -5.866 16.698 -1.330 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -2.161 16.092 -5.181 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -3.345 15.940 -0.340 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -0.480 15.491 -3.485 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -1.068 15.411 -1.096 1.00 0.00 H new ATOM 509 N CYS A 34 -2.958 14.407 -6.510 1.00 0.00 N ATOM 510 CA CYS A 34 -1.592 14.051 -6.876 1.00 0.00 C ATOM 511 C CYS A 34 -1.578 13.122 -8.086 1.00 0.00 C ATOM 512 O CYS A 34 -2.224 12.074 -8.102 1.00 0.00 O ATOM 513 CB CYS A 34 -0.883 13.384 -5.697 1.00 0.00 C ATOM 514 SG CYS A 34 0.921 13.474 -5.774 1.00 0.00 S ATOM 0 H CYS A 34 -3.336 13.877 -5.725 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.062 14.967 -7.138 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.220 13.852 -4.772 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.182 12.337 -5.652 1.00 0.00 H new ATOM 0 HG CYS A 34 1.425 13.058 -4.650 1.00 0.00 H new ATOM 520 N PRO A 35 -0.826 13.514 -9.125 1.00 0.00 N ATOM 521 CA PRO A 35 -0.710 12.731 -10.359 1.00 0.00 C ATOM 522 C PRO A 35 0.072 11.438 -10.154 1.00 0.00 C ATOM 523 O PRO A 35 -0.385 10.359 -10.529 1.00 0.00 O ATOM 524 CB PRO A 35 0.044 13.668 -11.304 1.00 0.00 C ATOM 525 CG PRO A 35 0.815 14.572 -10.406 1.00 0.00 C ATOM 526 CD PRO A 35 -0.029 14.751 -9.175 1.00 0.00 C ATOM 0 HA PRO A 35 -1.684 12.417 -10.735 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.705 13.112 -11.968 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.644 14.230 -11.936 1.00 0.00 H new ATOM 0 HG2 PRO A 35 1.784 14.140 -10.155 1.00 0.00 H new ATOM 0 HG3 PRO A 35 1.009 15.530 -10.889 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.584 14.871 -8.282 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -0.663 15.635 -9.247 1.00 0.00 H new ATOM 534 N ALA A 36 1.253 11.555 -9.556 1.00 0.00 N ATOM 535 CA ALA A 36 2.098 10.395 -9.299 1.00 0.00 C ATOM 536 C ALA A 36 1.333 9.317 -8.537 1.00 0.00 C ATOM 537 O ALA A 36 1.411 8.134 -8.871 1.00 0.00 O ATOM 538 CB ALA A 36 3.342 10.808 -8.527 1.00 0.00 C ATOM 0 H ALA A 36 1.646 12.442 -9.240 1.00 0.00 H new ATOM 0 HA ALA A 36 2.402 9.978 -10.259 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.963 9.932 -8.342 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.906 11.537 -9.109 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.049 11.252 -7.576 1.00 0.00 H new ATOM 544 N CYS A 37 0.597 9.734 -7.513 1.00 0.00 N ATOM 545 CA CYS A 37 -0.181 8.803 -6.702 1.00 0.00 C ATOM 546 C CYS A 37 -1.089 7.946 -7.579 1.00 0.00 C ATOM 547 O CYS A 37 -1.350 6.784 -7.267 1.00 0.00 O ATOM 548 CB CYS A 37 -1.017 9.566 -5.674 1.00 0.00 C ATOM 549 SG CYS A 37 -0.042 10.377 -4.385 1.00 0.00 S ATOM 0 H CYS A 37 0.522 10.709 -7.224 1.00 0.00 H new ATOM 0 HA CYS A 37 0.514 8.146 -6.179 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.612 10.318 -6.192 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -1.716 8.874 -5.205 1.00 0.00 H new ATOM 0 HG CYS A 37 0.502 11.455 -4.866 1.00 0.00 H new ATOM 555 N GLN A 38 -1.567 8.528 -8.673 1.00 0.00 N ATOM 556 CA GLN A 38 -2.448 7.818 -9.593 1.00 0.00 C ATOM 557 C GLN A 38 -1.726 6.638 -10.236 1.00 0.00 C ATOM 558 O GLN A 38 -2.348 5.642 -10.601 1.00 0.00 O ATOM 559 CB GLN A 38 -2.963 8.767 -10.676 1.00 0.00 C ATOM 560 CG GLN A 38 -3.453 10.100 -10.133 1.00 0.00 C ATOM 561 CD GLN A 38 -4.501 9.940 -9.049 1.00 0.00 C ATOM 562 OE1 GLN A 38 -4.979 8.835 -8.791 1.00 0.00 O ATOM 563 NE2 GLN A 38 -4.864 11.045 -8.408 1.00 0.00 N ATOM 0 H GLN A 38 -1.359 9.489 -8.944 1.00 0.00 H new ATOM 0 HA GLN A 38 -3.295 7.436 -9.023 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.166 8.949 -11.397 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.777 8.282 -11.215 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -2.606 10.659 -9.734 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.868 10.690 -10.950 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.441 11.940 -8.655 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.565 10.999 -7.669 1.00 0.00 H new ATOM 572 N ASN A 39 -0.409 6.759 -10.372 1.00 0.00 N ATOM 573 CA ASN A 39 0.397 5.702 -10.972 1.00 0.00 C ATOM 574 C ASN A 39 0.505 4.502 -10.037 1.00 0.00 C ATOM 575 O ASN A 39 0.625 3.361 -10.484 1.00 0.00 O ATOM 576 CB ASN A 39 1.794 6.228 -11.308 1.00 0.00 C ATOM 577 CG ASN A 39 2.410 5.514 -12.496 1.00 0.00 C ATOM 578 OD1 ASN A 39 2.085 4.361 -12.778 1.00 0.00 O ATOM 579 ND2 ASN A 39 3.303 6.200 -13.200 1.00 0.00 N ATOM 0 H ASN A 39 0.122 7.578 -10.075 1.00 0.00 H new ATOM 0 HA ASN A 39 -0.095 5.381 -11.890 1.00 0.00 H new ATOM 0 HB2 ASN A 39 1.736 7.296 -11.519 1.00 0.00 H new ATOM 0 HB3 ASN A 39 2.442 6.109 -10.440 1.00 0.00 H new ATOM 0 HD21 ASN A 39 3.750 5.773 -14.011 1.00 0.00 H new ATOM 0 HD22 ASN A 39 3.542 7.154 -12.929 1.00 0.00 H new ATOM 586 N LEU A 40 0.459 4.767 -8.736 1.00 0.00 N ATOM 587 CA LEU A 40 0.551 3.708 -7.736 1.00 0.00 C ATOM 588 C LEU A 40 -0.823 3.110 -7.449 1.00 0.00 C ATOM 589 O LEU A 40 -0.933 1.951 -7.049 1.00 0.00 O ATOM 590 CB LEU A 40 1.162 4.252 -6.443 1.00 0.00 C ATOM 591 CG LEU A 40 1.504 3.214 -5.374 1.00 0.00 C ATOM 592 CD1 LEU A 40 2.647 2.326 -5.839 1.00 0.00 C ATOM 593 CD2 LEU A 40 1.857 3.897 -4.061 1.00 0.00 C ATOM 0 H LEU A 40 0.359 5.705 -8.349 1.00 0.00 H new ATOM 0 HA LEU A 40 1.194 2.922 -8.133 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.071 4.797 -6.696 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.468 4.973 -6.012 1.00 0.00 H new ATOM 0 HG LEU A 40 0.628 2.587 -5.210 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.877 1.593 -5.065 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.357 1.809 -6.754 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.528 2.938 -6.032 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.098 3.143 -3.312 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.718 4.548 -4.210 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.008 4.490 -3.720 1.00 0.00 H new ATOM 605 N GLN A 41 -1.865 3.907 -7.659 1.00 0.00 N ATOM 606 CA GLN A 41 -3.232 3.454 -7.425 1.00 0.00 C ATOM 607 C GLN A 41 -3.417 2.016 -7.897 1.00 0.00 C ATOM 608 O GLN A 41 -3.810 1.132 -7.136 1.00 0.00 O ATOM 609 CB GLN A 41 -4.225 4.371 -8.141 1.00 0.00 C ATOM 610 CG GLN A 41 -4.708 5.531 -7.285 1.00 0.00 C ATOM 611 CD GLN A 41 -5.078 5.103 -5.878 1.00 0.00 C ATOM 612 OE1 GLN A 41 -4.101 5.120 -4.979 1.00 0.00 O flip ATOM 613 NE2 GLN A 41 -6.228 4.762 -5.602 1.00 0.00 N flip ATOM 0 H GLN A 41 -1.790 4.869 -7.990 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.422 3.492 -6.352 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -3.757 4.766 -9.043 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -5.085 3.783 -8.460 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -3.928 6.291 -7.236 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.574 5.992 -7.760 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.948 4.764 -6.325 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.461 4.477 -4.651 1.00 0.00 H new ATOM 622 N PRO A 42 -3.129 1.774 -9.185 1.00 0.00 N ATOM 623 CA PRO A 42 -3.256 0.444 -9.788 1.00 0.00 C ATOM 624 C PRO A 42 -2.206 -0.532 -9.267 1.00 0.00 C ATOM 625 O PRO A 42 -2.521 -1.671 -8.924 1.00 0.00 O ATOM 626 CB PRO A 42 -3.045 0.709 -11.280 1.00 0.00 C ATOM 627 CG PRO A 42 -2.227 1.953 -11.332 1.00 0.00 C ATOM 628 CD PRO A 42 -2.655 2.779 -10.150 1.00 0.00 C ATOM 0 HA PRO A 42 -4.215 -0.019 -9.555 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -2.531 -0.123 -11.761 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -3.996 0.838 -11.797 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.163 1.723 -11.282 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.394 2.491 -12.265 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -1.828 3.364 -9.748 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.443 3.483 -10.416 1.00 0.00 H new ATOM 636 N GLU A 43 -0.958 -0.077 -9.210 1.00 0.00 N ATOM 637 CA GLU A 43 0.137 -0.912 -8.731 1.00 0.00 C ATOM 638 C GLU A 43 -0.195 -1.517 -7.370 1.00 0.00 C ATOM 639 O GLU A 43 0.128 -2.673 -7.098 1.00 0.00 O ATOM 640 CB GLU A 43 1.427 -0.094 -8.637 1.00 0.00 C ATOM 641 CG GLU A 43 2.256 -0.116 -9.910 1.00 0.00 C ATOM 642 CD GLU A 43 1.813 0.933 -10.912 1.00 0.00 C ATOM 643 OE1 GLU A 43 0.775 0.722 -11.573 1.00 0.00 O ATOM 644 OE2 GLU A 43 2.506 1.965 -11.034 1.00 0.00 O ATOM 0 H GLU A 43 -0.681 0.864 -9.489 1.00 0.00 H new ATOM 0 HA GLU A 43 0.281 -1.724 -9.444 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.176 0.939 -8.395 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.031 -0.476 -7.814 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.304 0.046 -9.659 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.186 -1.103 -10.368 1.00 0.00 H new ATOM 651 N TRP A 44 -0.842 -0.728 -6.521 1.00 0.00 N ATOM 652 CA TRP A 44 -1.217 -1.185 -5.187 1.00 0.00 C ATOM 653 C TRP A 44 -2.223 -2.328 -5.268 1.00 0.00 C ATOM 654 O TRP A 44 -2.072 -3.347 -4.594 1.00 0.00 O ATOM 655 CB TRP A 44 -1.804 -0.029 -4.376 1.00 0.00 C ATOM 656 CG TRP A 44 -1.673 -0.216 -2.895 1.00 0.00 C ATOM 657 CD1 TRP A 44 -2.689 -0.320 -1.988 1.00 0.00 C ATOM 658 CD2 TRP A 44 -0.455 -0.320 -2.149 1.00 0.00 C ATOM 659 NE1 TRP A 44 -2.176 -0.482 -0.724 1.00 0.00 N ATOM 660 CE2 TRP A 44 -0.808 -0.486 -0.795 1.00 0.00 C ATOM 661 CE3 TRP A 44 0.899 -0.290 -2.492 1.00 0.00 C ATOM 662 CZ2 TRP A 44 0.144 -0.620 0.211 1.00 0.00 C ATOM 663 CZ3 TRP A 44 1.843 -0.423 -1.492 1.00 0.00 C ATOM 664 CH2 TRP A 44 1.463 -0.587 -0.154 1.00 0.00 C ATOM 0 H TRP A 44 -1.118 0.231 -6.732 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.319 -1.550 -4.688 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.306 0.897 -4.664 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.858 0.084 -4.629 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -3.741 -0.281 -2.229 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -2.725 -0.583 0.130 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.202 -0.165 -3.521 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -0.147 -0.746 1.243 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.892 -0.400 -1.747 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.225 -0.689 0.604 1.00 0.00 H new ATOM 675 N GLU A 45 -3.248 -2.152 -6.095 1.00 0.00 N ATOM 676 CA GLU A 45 -4.278 -3.171 -6.261 1.00 0.00 C ATOM 677 C GLU A 45 -3.660 -4.515 -6.634 1.00 0.00 C ATOM 678 O GLU A 45 -3.862 -5.515 -5.945 1.00 0.00 O ATOM 679 CB GLU A 45 -5.281 -2.743 -7.336 1.00 0.00 C ATOM 680 CG GLU A 45 -6.264 -1.685 -6.864 1.00 0.00 C ATOM 681 CD GLU A 45 -7.588 -1.749 -7.601 1.00 0.00 C ATOM 682 OE1 GLU A 45 -8.271 -2.791 -7.506 1.00 0.00 O ATOM 683 OE2 GLU A 45 -7.941 -0.757 -8.273 1.00 0.00 O ATOM 0 H GLU A 45 -3.388 -1.314 -6.660 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.799 -3.282 -5.310 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.735 -2.361 -8.199 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.836 -3.619 -7.672 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.441 -1.809 -5.796 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.823 -0.698 -7.001 1.00 0.00 H new ATOM 690 N SER A 46 -2.905 -4.530 -7.728 1.00 0.00 N ATOM 691 CA SER A 46 -2.260 -5.751 -8.195 1.00 0.00 C ATOM 692 C SER A 46 -1.395 -6.363 -7.098 1.00 0.00 C ATOM 693 O SER A 46 -1.125 -7.564 -7.101 1.00 0.00 O ATOM 694 CB SER A 46 -1.407 -5.462 -9.431 1.00 0.00 C ATOM 695 OG SER A 46 -2.219 -5.179 -10.557 1.00 0.00 O ATOM 0 H SER A 46 -2.725 -3.710 -8.307 1.00 0.00 H new ATOM 0 HA SER A 46 -3.040 -6.465 -8.459 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.748 -4.617 -9.232 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.769 -6.320 -9.645 1.00 0.00 H new ATOM 0 HG SER A 46 -1.650 -4.996 -11.333 1.00 0.00 H new ATOM 701 N PHE A 47 -0.963 -5.527 -6.159 1.00 0.00 N ATOM 702 CA PHE A 47 -0.127 -5.984 -5.055 1.00 0.00 C ATOM 703 C PHE A 47 -0.972 -6.653 -3.974 1.00 0.00 C ATOM 704 O PHE A 47 -0.798 -7.835 -3.679 1.00 0.00 O ATOM 705 CB PHE A 47 0.650 -4.809 -4.456 1.00 0.00 C ATOM 706 CG PHE A 47 1.028 -5.013 -3.017 1.00 0.00 C ATOM 707 CD1 PHE A 47 1.283 -6.283 -2.526 1.00 0.00 C ATOM 708 CD2 PHE A 47 1.129 -3.933 -2.154 1.00 0.00 C ATOM 709 CE1 PHE A 47 1.631 -6.473 -1.202 1.00 0.00 C ATOM 710 CE2 PHE A 47 1.477 -4.117 -0.830 1.00 0.00 C ATOM 711 CZ PHE A 47 1.728 -5.389 -0.353 1.00 0.00 C ATOM 0 H PHE A 47 -1.178 -4.530 -6.141 1.00 0.00 H new ATOM 0 HA PHE A 47 0.579 -6.717 -5.445 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.555 -4.646 -5.042 1.00 0.00 H new ATOM 0 HB3 PHE A 47 0.048 -3.904 -4.541 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.209 -7.135 -3.186 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.933 -2.936 -2.521 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.827 -7.469 -0.832 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.553 -3.267 -0.168 1.00 0.00 H new ATOM 0 HZ PHE A 47 2.000 -5.535 0.682 1.00 0.00 H new ATOM 721 N ALA A 48 -1.886 -5.887 -3.387 1.00 0.00 N ATOM 722 CA ALA A 48 -2.759 -6.405 -2.341 1.00 0.00 C ATOM 723 C ALA A 48 -3.323 -7.770 -2.722 1.00 0.00 C ATOM 724 O ALA A 48 -3.706 -8.556 -1.857 1.00 0.00 O ATOM 725 CB ALA A 48 -3.888 -5.424 -2.062 1.00 0.00 C ATOM 0 H ALA A 48 -2.041 -4.906 -3.618 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.166 -6.527 -1.435 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.532 -5.824 -1.279 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.470 -4.471 -1.737 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.472 -5.273 -2.970 1.00 0.00 H new ATOM 731 N GLU A 49 -3.371 -8.043 -4.022 1.00 0.00 N ATOM 732 CA GLU A 49 -3.890 -9.313 -4.517 1.00 0.00 C ATOM 733 C GLU A 49 -3.184 -10.488 -3.846 1.00 0.00 C ATOM 734 O GLU A 49 -3.815 -11.300 -3.170 1.00 0.00 O ATOM 735 CB GLU A 49 -3.722 -9.402 -6.035 1.00 0.00 C ATOM 736 CG GLU A 49 -4.691 -8.523 -6.807 1.00 0.00 C ATOM 737 CD GLU A 49 -4.778 -8.899 -8.274 1.00 0.00 C ATOM 738 OE1 GLU A 49 -4.914 -10.104 -8.571 1.00 0.00 O ATOM 739 OE2 GLU A 49 -4.710 -7.987 -9.124 1.00 0.00 O ATOM 0 H GLU A 49 -3.057 -7.402 -4.751 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.951 -9.362 -4.273 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.702 -9.120 -6.296 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.857 -10.438 -6.347 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.681 -8.598 -6.357 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.380 -7.482 -6.720 1.00 0.00 H new ATOM 746 N TRP A 50 -1.873 -10.570 -4.039 1.00 0.00 N ATOM 747 CA TRP A 50 -1.081 -11.646 -3.453 1.00 0.00 C ATOM 748 C TRP A 50 -0.612 -11.275 -2.051 1.00 0.00 C ATOM 749 O TRP A 50 -0.023 -12.094 -1.346 1.00 0.00 O ATOM 750 CB TRP A 50 0.125 -11.960 -4.341 1.00 0.00 C ATOM 751 CG TRP A 50 0.927 -10.747 -4.705 1.00 0.00 C ATOM 752 CD1 TRP A 50 1.002 -10.152 -5.932 1.00 0.00 C ATOM 753 CD2 TRP A 50 1.768 -9.983 -3.834 1.00 0.00 C ATOM 754 NE1 TRP A 50 1.840 -9.065 -5.876 1.00 0.00 N ATOM 755 CE2 TRP A 50 2.322 -8.939 -4.600 1.00 0.00 C ATOM 756 CE3 TRP A 50 2.106 -10.078 -2.481 1.00 0.00 C ATOM 757 CZ2 TRP A 50 3.194 -7.999 -4.057 1.00 0.00 C ATOM 758 CZ3 TRP A 50 2.972 -9.145 -1.944 1.00 0.00 C ATOM 759 CH2 TRP A 50 3.508 -8.117 -2.730 1.00 0.00 C ATOM 0 H TRP A 50 -1.336 -9.905 -4.596 1.00 0.00 H new ATOM 0 HA TRP A 50 -1.712 -12.532 -3.382 1.00 0.00 H new ATOM 0 HB2 TRP A 50 0.770 -12.672 -3.827 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -0.221 -12.445 -5.254 1.00 0.00 H new ATOM 0 HD1 TRP A 50 0.480 -10.487 -6.816 1.00 0.00 H new ATOM 0 HE1 TRP A 50 2.067 -8.451 -6.658 1.00 0.00 H new ATOM 0 HE3 TRP A 50 1.698 -10.867 -1.866 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 3.608 -7.205 -4.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.240 -9.209 -0.900 1.00 0.00 H new ATOM 0 HH2 TRP A 50 4.182 -7.403 -2.280 1.00 0.00 H new ATOM 770 N GLY A 51 -0.878 -10.035 -1.650 1.00 0.00 N ATOM 771 CA GLY A 51 -0.476 -9.579 -0.333 1.00 0.00 C ATOM 772 C GLY A 51 -0.862 -10.554 0.761 1.00 0.00 C ATOM 773 O GLY A 51 0.001 -11.193 1.363 1.00 0.00 O ATOM 0 H GLY A 51 -1.365 -9.339 -2.214 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.604 -9.429 -0.318 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.935 -8.611 -0.131 1.00 0.00 H new ATOM 777 N GLU A 52 -2.161 -10.668 1.021 1.00 0.00 N ATOM 778 CA GLU A 52 -2.657 -11.571 2.052 1.00 0.00 C ATOM 779 C GLU A 52 -2.037 -12.958 1.905 1.00 0.00 C ATOM 780 O GLU A 52 -1.781 -13.643 2.895 1.00 0.00 O ATOM 781 CB GLU A 52 -4.182 -11.672 1.982 1.00 0.00 C ATOM 782 CG GLU A 52 -4.689 -12.366 0.729 1.00 0.00 C ATOM 783 CD GLU A 52 -6.196 -12.278 0.582 1.00 0.00 C ATOM 784 OE1 GLU A 52 -6.905 -12.571 1.568 1.00 0.00 O ATOM 785 OE2 GLU A 52 -6.665 -11.917 -0.517 1.00 0.00 O ATOM 0 H GLU A 52 -2.888 -10.146 0.532 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.371 -11.165 3.022 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.543 -12.212 2.857 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.607 -10.669 2.029 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.216 -11.920 -0.146 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.391 -13.414 0.753 1.00 0.00 H new ATOM 792 N ASP A 53 -1.799 -13.364 0.663 1.00 0.00 N ATOM 793 CA ASP A 53 -1.208 -14.668 0.385 1.00 0.00 C ATOM 794 C ASP A 53 0.174 -14.785 1.019 1.00 0.00 C ATOM 795 O ASP A 53 0.551 -15.846 1.520 1.00 0.00 O ATOM 796 CB ASP A 53 -1.112 -14.897 -1.124 1.00 0.00 C ATOM 797 CG ASP A 53 -2.272 -15.712 -1.661 1.00 0.00 C ATOM 798 OD1 ASP A 53 -3.391 -15.576 -1.125 1.00 0.00 O ATOM 799 OD2 ASP A 53 -2.060 -16.487 -2.618 1.00 0.00 O ATOM 0 H ASP A 53 -2.006 -12.809 -0.167 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.853 -15.432 0.820 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.082 -13.934 -1.633 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.177 -15.408 -1.352 1.00 0.00 H new ATOM 804 N LEU A 54 0.926 -13.690 0.993 1.00 0.00 N ATOM 805 CA LEU A 54 2.268 -13.670 1.565 1.00 0.00 C ATOM 806 C LEU A 54 2.222 -13.321 3.049 1.00 0.00 C ATOM 807 O LEU A 54 3.215 -12.874 3.622 1.00 0.00 O ATOM 808 CB LEU A 54 3.146 -12.663 0.819 1.00 0.00 C ATOM 809 CG LEU A 54 3.379 -12.946 -0.665 1.00 0.00 C ATOM 810 CD1 LEU A 54 4.212 -11.840 -1.294 1.00 0.00 C ATOM 811 CD2 LEU A 54 4.053 -14.297 -0.851 1.00 0.00 C ATOM 0 H LEU A 54 0.629 -12.805 0.582 1.00 0.00 H new ATOM 0 HA LEU A 54 2.697 -14.666 1.458 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.693 -11.676 0.913 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.115 -12.618 1.316 1.00 0.00 H new ATOM 0 HG LEU A 54 2.412 -12.974 -1.167 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.368 -12.058 -2.351 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.689 -10.889 -1.193 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.176 -11.779 -0.790 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.211 -14.482 -1.914 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.014 -14.298 -0.336 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.418 -15.080 -0.437 1.00 0.00 H new ATOM 823 N GLU A 55 1.063 -13.531 3.666 1.00 0.00 N ATOM 824 CA GLU A 55 0.890 -13.240 5.084 1.00 0.00 C ATOM 825 C GLU A 55 1.209 -11.778 5.382 1.00 0.00 C ATOM 826 O GLU A 55 2.035 -11.474 6.244 1.00 0.00 O ATOM 827 CB GLU A 55 1.784 -14.151 5.928 1.00 0.00 C ATOM 828 CG GLU A 55 1.324 -15.599 5.956 1.00 0.00 C ATOM 829 CD GLU A 55 2.374 -16.534 6.524 1.00 0.00 C ATOM 830 OE1 GLU A 55 3.357 -16.824 5.810 1.00 0.00 O ATOM 831 OE2 GLU A 55 2.213 -16.975 7.681 1.00 0.00 O ATOM 0 H GLU A 55 0.231 -13.901 3.206 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.152 -13.427 5.342 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.801 -14.109 5.539 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.817 -13.769 6.948 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.414 -15.676 6.551 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.070 -15.915 4.944 1.00 0.00 H new ATOM 838 N VAL A 56 0.549 -10.875 4.663 1.00 0.00 N ATOM 839 CA VAL A 56 0.762 -9.445 4.850 1.00 0.00 C ATOM 840 C VAL A 56 -0.493 -8.653 4.500 1.00 0.00 C ATOM 841 O VAL A 56 -1.062 -8.817 3.421 1.00 0.00 O ATOM 842 CB VAL A 56 1.934 -8.935 3.992 1.00 0.00 C ATOM 843 CG1 VAL A 56 1.450 -8.547 2.603 1.00 0.00 C ATOM 844 CG2 VAL A 56 2.621 -7.761 4.673 1.00 0.00 C ATOM 0 H VAL A 56 -0.138 -11.109 3.946 1.00 0.00 H new ATOM 0 HA VAL A 56 1.001 -9.295 5.903 1.00 0.00 H new ATOM 0 HB VAL A 56 2.661 -9.740 3.886 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.292 -8.189 2.011 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.008 -9.416 2.116 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.703 -7.758 2.685 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.447 -7.413 4.053 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.905 -6.951 4.812 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.004 -8.077 5.643 1.00 0.00 H new ATOM 854 N ASN A 57 -0.919 -7.793 5.419 1.00 0.00 N ATOM 855 CA ASN A 57 -2.107 -6.974 5.207 1.00 0.00 C ATOM 856 C ASN A 57 -1.766 -5.715 4.416 1.00 0.00 C ATOM 857 O ASN A 57 -0.650 -5.202 4.497 1.00 0.00 O ATOM 858 CB ASN A 57 -2.735 -6.592 6.549 1.00 0.00 C ATOM 859 CG ASN A 57 -2.857 -7.777 7.488 1.00 0.00 C ATOM 860 OD1 ASN A 57 -3.286 -8.859 7.087 1.00 0.00 O ATOM 861 ND2 ASN A 57 -2.480 -7.576 8.745 1.00 0.00 N ATOM 0 H ASN A 57 -0.460 -7.645 6.318 1.00 0.00 H new ATOM 0 HA ASN A 57 -2.824 -7.560 4.632 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -2.131 -5.817 7.022 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.723 -6.165 6.376 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.540 -8.336 9.423 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.130 -6.662 9.033 1.00 0.00 H new ATOM 868 N ILE A 58 -2.735 -5.222 3.651 1.00 0.00 N ATOM 869 CA ILE A 58 -2.538 -4.023 2.847 1.00 0.00 C ATOM 870 C ILE A 58 -3.668 -3.023 3.066 1.00 0.00 C ATOM 871 O ILE A 58 -4.845 -3.382 3.026 1.00 0.00 O ATOM 872 CB ILE A 58 -2.448 -4.359 1.347 1.00 0.00 C ATOM 873 CG1 ILE A 58 -1.286 -5.319 1.086 1.00 0.00 C ATOM 874 CG2 ILE A 58 -2.286 -3.088 0.528 1.00 0.00 C ATOM 875 CD1 ILE A 58 -1.640 -6.773 1.313 1.00 0.00 C ATOM 0 H ILE A 58 -3.664 -5.635 3.572 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.596 -3.579 3.168 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.374 -4.848 1.043 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.945 -5.193 0.058 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.452 -5.051 1.734 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.224 -3.342 -0.530 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.143 -2.436 0.695 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.374 -2.573 0.832 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.769 -7.396 1.109 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.953 -6.914 2.348 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.454 -7.058 0.646 1.00 0.00 H new ATOM 887 N ALA A 59 -3.303 -1.766 3.295 1.00 0.00 N ATOM 888 CA ALA A 59 -4.286 -0.713 3.516 1.00 0.00 C ATOM 889 C ALA A 59 -3.885 0.572 2.799 1.00 0.00 C ATOM 890 O ALA A 59 -2.809 0.654 2.205 1.00 0.00 O ATOM 891 CB ALA A 59 -4.458 -0.456 5.006 1.00 0.00 C ATOM 0 H ALA A 59 -2.333 -1.452 3.332 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.238 -1.047 3.103 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.195 0.333 5.156 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.798 -1.369 5.496 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.504 -0.148 5.435 1.00 0.00 H new ATOM 897 N LYS A 60 -4.756 1.573 2.857 1.00 0.00 N ATOM 898 CA LYS A 60 -4.493 2.855 2.213 1.00 0.00 C ATOM 899 C LYS A 60 -5.033 4.007 3.055 1.00 0.00 C ATOM 900 O LYS A 60 -6.033 3.860 3.758 1.00 0.00 O ATOM 901 CB LYS A 60 -5.125 2.888 0.819 1.00 0.00 C ATOM 902 CG LYS A 60 -6.637 3.025 0.840 1.00 0.00 C ATOM 903 CD LYS A 60 -7.246 2.684 -0.510 1.00 0.00 C ATOM 904 CE LYS A 60 -8.764 2.613 -0.435 1.00 0.00 C ATOM 905 NZ LYS A 60 -9.369 2.277 -1.753 1.00 0.00 N ATOM 0 H LYS A 60 -5.651 1.522 3.344 1.00 0.00 H new ATOM 0 HA LYS A 60 -3.413 2.972 2.119 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.701 3.720 0.257 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.859 1.975 0.287 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.052 2.368 1.604 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.907 4.044 1.115 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.952 3.435 -1.243 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.853 1.728 -0.857 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.057 1.864 0.301 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.156 3.569 -0.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.404 2.238 -1.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.111 3.005 -2.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.015 1.352 -2.072 1.00 0.00 H new ATOM 919 N VAL A 61 -4.365 5.154 2.977 1.00 0.00 N ATOM 920 CA VAL A 61 -4.780 6.332 3.730 1.00 0.00 C ATOM 921 C VAL A 61 -4.939 7.541 2.815 1.00 0.00 C ATOM 922 O VAL A 61 -4.246 7.664 1.805 1.00 0.00 O ATOM 923 CB VAL A 61 -3.769 6.673 4.841 1.00 0.00 C ATOM 924 CG1 VAL A 61 -4.071 8.039 5.438 1.00 0.00 C ATOM 925 CG2 VAL A 61 -3.777 5.597 5.917 1.00 0.00 C ATOM 0 H VAL A 61 -3.535 5.292 2.401 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.742 6.094 4.184 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.772 6.708 4.402 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.346 8.262 6.221 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.009 8.799 4.659 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -5.075 8.037 5.863 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.057 5.854 6.694 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.773 5.527 6.354 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.507 4.638 5.475 1.00 0.00 H new ATOM 935 N ASP A 62 -5.857 8.431 3.175 1.00 0.00 N ATOM 936 CA ASP A 62 -6.107 9.632 2.387 1.00 0.00 C ATOM 937 C ASP A 62 -5.591 10.873 3.109 1.00 0.00 C ATOM 938 O ASP A 62 -5.950 11.131 4.257 1.00 0.00 O ATOM 939 CB ASP A 62 -7.603 9.779 2.102 1.00 0.00 C ATOM 940 CG ASP A 62 -8.457 9.471 3.316 1.00 0.00 C ATOM 941 OD1 ASP A 62 -7.946 9.598 4.449 1.00 0.00 O ATOM 942 OD2 ASP A 62 -9.636 9.103 3.134 1.00 0.00 O ATOM 0 H ASP A 62 -6.440 8.343 4.007 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.572 9.534 1.442 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -7.808 10.796 1.766 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.882 9.112 1.287 1.00 0.00 H new ATOM 947 N VAL A 63 -4.743 11.638 2.427 1.00 0.00 N ATOM 948 CA VAL A 63 -4.177 12.852 3.003 1.00 0.00 C ATOM 949 C VAL A 63 -5.124 14.035 2.833 1.00 0.00 C ATOM 950 O VAL A 63 -4.695 15.189 2.803 1.00 0.00 O ATOM 951 CB VAL A 63 -2.821 13.198 2.360 1.00 0.00 C ATOM 952 CG1 VAL A 63 -1.830 12.060 2.557 1.00 0.00 C ATOM 953 CG2 VAL A 63 -2.997 13.512 0.882 1.00 0.00 C ATOM 0 H VAL A 63 -4.434 11.438 1.476 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.029 12.659 4.066 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.422 14.085 2.852 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.878 12.323 2.096 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.682 11.887 3.623 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.220 11.154 2.093 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.029 13.754 0.444 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.419 12.645 0.374 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.670 14.362 0.768 1.00 0.00 H new ATOM 963 N THR A 64 -6.416 13.740 2.724 1.00 0.00 N ATOM 964 CA THR A 64 -7.424 14.779 2.557 1.00 0.00 C ATOM 965 C THR A 64 -8.488 14.693 3.646 1.00 0.00 C ATOM 966 O THR A 64 -9.109 15.695 4.000 1.00 0.00 O ATOM 967 CB THR A 64 -8.108 14.682 1.180 1.00 0.00 C ATOM 968 OG1 THR A 64 -8.835 13.453 1.079 1.00 0.00 O ATOM 969 CG2 THR A 64 -7.081 14.763 0.060 1.00 0.00 C ATOM 0 H THR A 64 -6.788 12.791 2.748 1.00 0.00 H new ATOM 0 HA THR A 64 -6.907 15.736 2.632 1.00 0.00 H new ATOM 0 HB THR A 64 -8.798 15.520 1.081 1.00 0.00 H new ATOM 0 HG1 THR A 64 -9.268 13.400 0.201 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.587 14.692 -0.903 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.549 15.712 0.122 1.00 0.00 H new ATOM 0 HG23 THR A 64 -6.370 13.942 0.158 1.00 0.00 H new ATOM 977 N GLU A 65 -8.691 13.490 4.175 1.00 0.00 N ATOM 978 CA GLU A 65 -9.680 13.275 5.224 1.00 0.00 C ATOM 979 C GLU A 65 -9.002 13.001 6.563 1.00 0.00 C ATOM 980 O GLU A 65 -9.544 13.318 7.621 1.00 0.00 O ATOM 981 CB GLU A 65 -10.600 12.108 4.858 1.00 0.00 C ATOM 982 CG GLU A 65 -11.385 12.332 3.576 1.00 0.00 C ATOM 983 CD GLU A 65 -12.121 11.088 3.119 1.00 0.00 C ATOM 984 OE1 GLU A 65 -12.902 10.533 3.920 1.00 0.00 O ATOM 985 OE2 GLU A 65 -11.917 10.669 1.960 1.00 0.00 O ATOM 0 H GLU A 65 -8.184 12.651 3.894 1.00 0.00 H new ATOM 0 HA GLU A 65 -10.276 14.183 5.317 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -10.002 11.203 4.754 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.299 11.936 5.677 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -12.102 13.138 3.730 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -10.704 12.657 2.789 1.00 0.00 H new ATOM 992 N GLN A 66 -7.813 12.408 6.507 1.00 0.00 N ATOM 993 CA GLN A 66 -7.061 12.090 7.715 1.00 0.00 C ATOM 994 C GLN A 66 -5.819 12.967 7.830 1.00 0.00 C ATOM 995 O GLN A 66 -4.724 12.593 7.409 1.00 0.00 O ATOM 996 CB GLN A 66 -6.660 10.614 7.718 1.00 0.00 C ATOM 997 CG GLN A 66 -7.839 9.663 7.591 1.00 0.00 C ATOM 998 CD GLN A 66 -8.913 9.923 8.628 1.00 0.00 C ATOM 999 OE1 GLN A 66 -8.678 10.610 9.623 1.00 0.00 O ATOM 1000 NE2 GLN A 66 -10.101 9.375 8.402 1.00 0.00 N ATOM 0 H GLN A 66 -7.351 12.139 5.639 1.00 0.00 H new ATOM 0 HA GLN A 66 -7.703 12.286 8.574 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -5.967 10.433 6.896 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -6.124 10.394 8.641 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -8.271 9.757 6.595 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -7.485 8.637 7.689 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -10.252 8.813 7.564 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -10.862 9.516 9.066 1.00 0.00 H new ATOM 1009 N PRO A 67 -5.989 14.163 8.413 1.00 0.00 N ATOM 1010 CA PRO A 67 -4.893 15.118 8.597 1.00 0.00 C ATOM 1011 C PRO A 67 -3.881 14.646 9.636 1.00 0.00 C ATOM 1012 O PRO A 67 -2.684 14.900 9.512 1.00 0.00 O ATOM 1013 CB PRO A 67 -5.603 16.385 9.079 1.00 0.00 C ATOM 1014 CG PRO A 67 -6.860 15.898 9.713 1.00 0.00 C ATOM 1015 CD PRO A 67 -7.266 14.675 8.938 1.00 0.00 C ATOM 0 HA PRO A 67 -4.317 15.258 7.682 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -4.989 16.936 9.791 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -5.814 17.060 8.250 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -6.700 15.659 10.764 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -7.638 16.661 9.675 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -7.761 13.942 9.575 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -7.961 14.921 8.135 1.00 0.00 H new ATOM 1023 N GLY A 68 -4.371 13.957 10.662 1.00 0.00 N ATOM 1024 CA GLY A 68 -3.496 13.461 11.708 1.00 0.00 C ATOM 1025 C GLY A 68 -2.562 12.373 11.215 1.00 0.00 C ATOM 1026 O GLY A 68 -1.342 12.543 11.220 1.00 0.00 O ATOM 0 H GLY A 68 -5.358 13.734 10.787 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -2.908 14.287 12.107 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.099 13.073 12.529 1.00 0.00 H new ATOM 1030 N LEU A 69 -3.135 11.253 10.789 1.00 0.00 N ATOM 1031 CA LEU A 69 -2.345 10.131 10.292 1.00 0.00 C ATOM 1032 C LEU A 69 -1.159 10.624 9.468 1.00 0.00 C ATOM 1033 O LEU A 69 -0.115 9.975 9.416 1.00 0.00 O ATOM 1034 CB LEU A 69 -3.218 9.202 9.447 1.00 0.00 C ATOM 1035 CG LEU A 69 -3.919 8.071 10.199 1.00 0.00 C ATOM 1036 CD1 LEU A 69 -4.621 7.137 9.226 1.00 0.00 C ATOM 1037 CD2 LEU A 69 -2.923 7.302 11.055 1.00 0.00 C ATOM 0 H LEU A 69 -4.143 11.097 10.778 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.963 9.578 11.150 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.977 9.804 8.948 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.596 8.762 8.667 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.670 8.509 10.856 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.114 6.338 9.780 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.364 7.696 8.657 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.889 6.706 8.543 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.440 6.501 11.583 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.148 6.876 10.418 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.467 7.978 11.778 1.00 0.00 H new ATOM 1049 N SER A 70 -1.328 11.776 8.827 1.00 0.00 N ATOM 1050 CA SER A 70 -0.273 12.355 8.004 1.00 0.00 C ATOM 1051 C SER A 70 0.870 12.874 8.872 1.00 0.00 C ATOM 1052 O SER A 70 2.039 12.601 8.606 1.00 0.00 O ATOM 1053 CB SER A 70 -0.832 13.490 7.144 1.00 0.00 C ATOM 1054 OG SER A 70 0.059 13.820 6.093 1.00 0.00 O ATOM 0 H SER A 70 -2.186 12.327 8.862 1.00 0.00 H new ATOM 0 HA SER A 70 0.115 11.573 7.352 1.00 0.00 H new ATOM 0 HB2 SER A 70 -1.796 13.195 6.729 1.00 0.00 H new ATOM 0 HB3 SER A 70 -1.008 14.368 7.765 1.00 0.00 H new ATOM 0 HG SER A 70 -0.322 14.547 5.557 1.00 0.00 H new ATOM 1060 N GLY A 71 0.520 13.625 9.912 1.00 0.00 N ATOM 1061 CA GLY A 71 1.527 14.172 10.803 1.00 0.00 C ATOM 1062 C GLY A 71 2.162 13.111 11.680 1.00 0.00 C ATOM 1063 O GLY A 71 3.378 13.100 11.870 1.00 0.00 O ATOM 0 H GLY A 71 -0.442 13.864 10.153 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.301 14.663 10.214 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.073 14.937 11.434 1.00 0.00 H new ATOM 1067 N ARG A 72 1.337 12.217 12.217 1.00 0.00 N ATOM 1068 CA ARG A 72 1.825 11.149 13.081 1.00 0.00 C ATOM 1069 C ARG A 72 2.777 10.229 12.323 1.00 0.00 C ATOM 1070 O ARG A 72 3.415 9.357 12.912 1.00 0.00 O ATOM 1071 CB ARG A 72 0.653 10.340 13.639 1.00 0.00 C ATOM 1072 CG ARG A 72 1.051 9.376 14.745 1.00 0.00 C ATOM 1073 CD ARG A 72 -0.169 8.773 15.423 1.00 0.00 C ATOM 1074 NE ARG A 72 -0.898 9.760 16.216 1.00 0.00 N ATOM 1075 CZ ARG A 72 -2.163 9.611 16.593 1.00 0.00 C ATOM 1076 NH1 ARG A 72 -2.836 8.521 16.250 1.00 0.00 N ATOM 1077 NH2 ARG A 72 -2.758 10.553 17.313 1.00 0.00 N ATOM 0 H ARG A 72 0.328 12.212 12.069 1.00 0.00 H new ATOM 0 HA ARG A 72 2.369 11.605 13.908 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -0.102 11.027 14.021 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.191 9.778 12.827 1.00 0.00 H new ATOM 0 HG2 ARG A 72 1.669 8.580 14.330 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.658 9.899 15.484 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.833 8.353 14.668 1.00 0.00 H new ATOM 0 HD3 ARG A 72 0.143 7.950 16.066 1.00 0.00 H new ATOM 0 HE ARG A 72 -0.409 10.610 16.496 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -2.382 7.795 15.696 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -3.807 8.409 16.541 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -2.244 11.393 17.578 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -3.729 10.437 17.602 1.00 0.00 H new ATOM 1091 N PHE A 73 2.867 10.429 11.012 1.00 0.00 N ATOM 1092 CA PHE A 73 3.740 9.617 10.172 1.00 0.00 C ATOM 1093 C PHE A 73 4.803 10.479 9.498 1.00 0.00 C ATOM 1094 O PHE A 73 5.795 9.967 8.980 1.00 0.00 O ATOM 1095 CB PHE A 73 2.920 8.877 9.113 1.00 0.00 C ATOM 1096 CG PHE A 73 2.374 7.561 9.589 1.00 0.00 C ATOM 1097 CD1 PHE A 73 1.301 7.517 10.466 1.00 0.00 C ATOM 1098 CD2 PHE A 73 2.932 6.368 9.160 1.00 0.00 C ATOM 1099 CE1 PHE A 73 0.798 6.308 10.906 1.00 0.00 C ATOM 1100 CE2 PHE A 73 2.432 5.155 9.597 1.00 0.00 C ATOM 1101 CZ PHE A 73 1.363 5.126 10.470 1.00 0.00 C ATOM 0 H PHE A 73 2.346 11.147 10.508 1.00 0.00 H new ATOM 0 HA PHE A 73 4.240 8.888 10.809 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.092 9.512 8.797 1.00 0.00 H new ATOM 0 HB3 PHE A 73 3.544 8.706 8.236 1.00 0.00 H new ATOM 0 HD1 PHE A 73 0.853 8.438 10.809 1.00 0.00 H new ATOM 0 HD2 PHE A 73 3.768 6.385 8.476 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -0.037 6.287 11.591 1.00 0.00 H new ATOM 0 HE2 PHE A 73 2.877 4.232 9.256 1.00 0.00 H new ATOM 0 HZ PHE A 73 0.969 4.180 10.811 1.00 0.00 H new ATOM 1111 N ILE A 74 4.587 11.790 9.508 1.00 0.00 N ATOM 1112 CA ILE A 74 5.526 12.723 8.899 1.00 0.00 C ATOM 1113 C ILE A 74 5.626 12.498 7.394 1.00 0.00 C ATOM 1114 O ILE A 74 6.721 12.349 6.850 1.00 0.00 O ATOM 1115 CB ILE A 74 6.929 12.597 9.520 1.00 0.00 C ATOM 1116 CG1 ILE A 74 6.831 12.527 11.045 1.00 0.00 C ATOM 1117 CG2 ILE A 74 7.805 13.765 9.093 1.00 0.00 C ATOM 1118 CD1 ILE A 74 6.675 11.120 11.577 1.00 0.00 C ATOM 0 H ILE A 74 3.770 12.230 9.931 1.00 0.00 H new ATOM 0 HA ILE A 74 5.143 13.725 9.090 1.00 0.00 H new ATOM 0 HB ILE A 74 7.387 11.675 9.161 1.00 0.00 H new ATOM 0 HG12 ILE A 74 7.725 12.974 11.479 1.00 0.00 H new ATOM 0 HG13 ILE A 74 5.983 13.127 11.374 1.00 0.00 H new ATOM 0 HG21 ILE A 74 8.793 13.661 9.540 1.00 0.00 H new ATOM 0 HG22 ILE A 74 7.897 13.773 8.007 1.00 0.00 H new ATOM 0 HG23 ILE A 74 7.353 14.699 9.425 1.00 0.00 H new ATOM 0 HD11 ILE A 74 6.612 11.147 12.665 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.765 10.677 11.172 1.00 0.00 H new ATOM 0 HD13 ILE A 74 7.535 10.521 11.278 1.00 0.00 H new ATOM 1130 N ILE A 75 4.477 12.475 6.727 1.00 0.00 N ATOM 1131 CA ILE A 75 4.436 12.271 5.284 1.00 0.00 C ATOM 1132 C ILE A 75 5.109 13.423 4.546 1.00 0.00 C ATOM 1133 O ILE A 75 4.597 14.541 4.522 1.00 0.00 O ATOM 1134 CB ILE A 75 2.989 12.127 4.777 1.00 0.00 C ATOM 1135 CG1 ILE A 75 2.300 10.946 5.463 1.00 0.00 C ATOM 1136 CG2 ILE A 75 2.972 11.952 3.266 1.00 0.00 C ATOM 1137 CD1 ILE A 75 3.054 9.642 5.323 1.00 0.00 C ATOM 0 H ILE A 75 3.562 12.595 7.162 1.00 0.00 H new ATOM 0 HA ILE A 75 4.978 11.347 5.081 1.00 0.00 H new ATOM 0 HB ILE A 75 2.441 13.036 5.024 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.176 11.173 6.522 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.301 10.825 5.044 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.942 11.852 2.923 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.429 12.822 2.794 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.533 11.057 2.997 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.507 8.849 5.833 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.155 9.392 4.267 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.044 9.745 5.768 1.00 0.00 H new ATOM 1149 N ASN A 76 6.260 13.141 3.944 1.00 0.00 N ATOM 1150 CA ASN A 76 7.004 14.154 3.204 1.00 0.00 C ATOM 1151 C ASN A 76 7.488 13.604 1.866 1.00 0.00 C ATOM 1152 O ASN A 76 8.563 13.964 1.388 1.00 0.00 O ATOM 1153 CB ASN A 76 8.196 14.645 4.028 1.00 0.00 C ATOM 1154 CG ASN A 76 9.319 13.628 4.083 1.00 0.00 C ATOM 1155 OD1 ASN A 76 9.081 12.421 4.038 1.00 0.00 O ATOM 1156 ND2 ASN A 76 10.552 14.112 4.181 1.00 0.00 N ATOM 0 H ASN A 76 6.698 12.220 3.954 1.00 0.00 H new ATOM 0 HA ASN A 76 6.335 14.992 3.011 1.00 0.00 H new ATOM 0 HB2 ASN A 76 8.572 15.574 3.600 1.00 0.00 H new ATOM 0 HB3 ASN A 76 7.865 14.872 5.041 1.00 0.00 H new ATOM 0 HD21 ASN A 76 11.348 13.475 4.222 1.00 0.00 H new ATOM 0 HD22 ASN A 76 10.703 15.120 4.215 1.00 0.00 H new ATOM 1163 N ALA A 77 6.686 12.730 1.267 1.00 0.00 N ATOM 1164 CA ALA A 77 7.031 12.131 -0.017 1.00 0.00 C ATOM 1165 C ALA A 77 5.895 11.259 -0.539 1.00 0.00 C ATOM 1166 O ALA A 77 5.637 10.176 -0.011 1.00 0.00 O ATOM 1167 CB ALA A 77 8.311 11.318 0.107 1.00 0.00 C ATOM 0 H ALA A 77 5.793 12.421 1.650 1.00 0.00 H new ATOM 0 HA ALA A 77 7.194 12.936 -0.734 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.557 10.877 -0.859 1.00 0.00 H new ATOM 0 HB2 ALA A 77 9.125 11.968 0.427 1.00 0.00 H new ATOM 0 HB3 ALA A 77 8.169 10.526 0.842 1.00 0.00 H new ATOM 1173 N LEU A 78 5.219 11.735 -1.578 1.00 0.00 N ATOM 1174 CA LEU A 78 4.109 10.998 -2.172 1.00 0.00 C ATOM 1175 C LEU A 78 4.453 10.541 -3.585 1.00 0.00 C ATOM 1176 O LEU A 78 5.082 11.261 -4.362 1.00 0.00 O ATOM 1177 CB LEU A 78 2.850 11.866 -2.197 1.00 0.00 C ATOM 1178 CG LEU A 78 2.307 12.301 -0.835 1.00 0.00 C ATOM 1179 CD1 LEU A 78 1.573 13.628 -0.952 1.00 0.00 C ATOM 1180 CD2 LEU A 78 1.390 11.231 -0.260 1.00 0.00 C ATOM 0 H LEU A 78 5.420 12.628 -2.027 1.00 0.00 H new ATOM 0 HA LEU A 78 3.922 10.116 -1.560 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.061 12.760 -2.784 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.066 11.319 -2.720 1.00 0.00 H new ATOM 0 HG LEU A 78 3.149 12.434 -0.155 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.194 13.922 0.027 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.258 14.392 -1.320 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.740 13.523 -1.647 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.013 11.557 0.709 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.553 11.066 -0.938 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.947 10.302 -0.138 1.00 0.00 H new ATOM 1192 N PRO A 79 4.031 9.315 -3.931 1.00 0.00 N ATOM 1193 CA PRO A 79 3.282 8.449 -3.015 1.00 0.00 C ATOM 1194 C PRO A 79 4.145 7.935 -1.868 1.00 0.00 C ATOM 1195 O PRO A 79 5.348 7.725 -2.027 1.00 0.00 O ATOM 1196 CB PRO A 79 2.836 7.290 -3.909 1.00 0.00 C ATOM 1197 CG PRO A 79 3.837 7.254 -5.011 1.00 0.00 C ATOM 1198 CD PRO A 79 4.252 8.681 -5.241 1.00 0.00 C ATOM 0 HA PRO A 79 2.458 8.978 -2.536 1.00 0.00 H new ATOM 0 HB2 PRO A 79 2.819 6.349 -3.359 1.00 0.00 H new ATOM 0 HB3 PRO A 79 1.829 7.452 -4.294 1.00 0.00 H new ATOM 0 HG2 PRO A 79 4.694 6.637 -4.740 1.00 0.00 H new ATOM 0 HG3 PRO A 79 3.407 6.822 -5.915 1.00 0.00 H new ATOM 0 HD2 PRO A 79 5.295 8.751 -5.551 1.00 0.00 H new ATOM 0 HD3 PRO A 79 3.655 9.152 -6.022 1.00 0.00 H new ATOM 1206 N THR A 80 3.523 7.733 -0.710 1.00 0.00 N ATOM 1207 CA THR A 80 4.234 7.244 0.465 1.00 0.00 C ATOM 1208 C THR A 80 3.886 5.788 0.752 1.00 0.00 C ATOM 1209 O THR A 80 2.793 5.326 0.424 1.00 0.00 O ATOM 1210 CB THR A 80 3.913 8.093 1.709 1.00 0.00 C ATOM 1211 OG1 THR A 80 3.620 9.440 1.322 1.00 0.00 O ATOM 1212 CG2 THR A 80 5.078 8.083 2.687 1.00 0.00 C ATOM 0 H THR A 80 2.528 7.901 -0.561 1.00 0.00 H new ATOM 0 HA THR A 80 5.299 7.323 0.246 1.00 0.00 H new ATOM 0 HB THR A 80 3.042 7.660 2.201 1.00 0.00 H new ATOM 0 HG1 THR A 80 4.455 9.911 1.118 1.00 0.00 H new ATOM 0 HG21 THR A 80 4.828 8.689 3.557 1.00 0.00 H new ATOM 0 HG22 THR A 80 5.279 7.059 3.003 1.00 0.00 H new ATOM 0 HG23 THR A 80 5.964 8.493 2.202 1.00 0.00 H new ATOM 1220 N ILE A 81 4.821 5.072 1.366 1.00 0.00 N ATOM 1221 CA ILE A 81 4.611 3.668 1.699 1.00 0.00 C ATOM 1222 C ILE A 81 5.278 3.311 3.023 1.00 0.00 C ATOM 1223 O ILE A 81 6.504 3.300 3.129 1.00 0.00 O ATOM 1224 CB ILE A 81 5.155 2.741 0.596 1.00 0.00 C ATOM 1225 CG1 ILE A 81 4.485 3.056 -0.742 1.00 0.00 C ATOM 1226 CG2 ILE A 81 4.936 1.283 0.975 1.00 0.00 C ATOM 1227 CD1 ILE A 81 5.235 2.508 -1.937 1.00 0.00 C ATOM 0 H ILE A 81 5.731 5.440 1.643 1.00 0.00 H new ATOM 0 HA ILE A 81 3.534 3.522 1.787 1.00 0.00 H new ATOM 0 HB ILE A 81 6.226 2.913 0.493 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.475 2.647 -0.738 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.391 4.137 -0.847 1.00 0.00 H new ATOM 0 HG21 ILE A 81 5.325 0.640 0.186 1.00 0.00 H new ATOM 0 HG22 ILE A 81 5.456 1.068 1.909 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.870 1.096 1.102 1.00 0.00 H new ATOM 0 HD11 ILE A 81 4.703 2.769 -2.852 1.00 0.00 H new ATOM 0 HD12 ILE A 81 6.237 2.936 -1.965 1.00 0.00 H new ATOM 0 HD13 ILE A 81 5.306 1.423 -1.856 1.00 0.00 H new ATOM 1239 N TYR A 82 4.462 3.019 4.030 1.00 0.00 N ATOM 1240 CA TYR A 82 4.973 2.662 5.348 1.00 0.00 C ATOM 1241 C TYR A 82 4.647 1.210 5.684 1.00 0.00 C ATOM 1242 O TYR A 82 3.514 0.759 5.509 1.00 0.00 O ATOM 1243 CB TYR A 82 4.384 3.588 6.414 1.00 0.00 C ATOM 1244 CG TYR A 82 5.162 4.871 6.598 1.00 0.00 C ATOM 1245 CD1 TYR A 82 6.254 4.929 7.455 1.00 0.00 C ATOM 1246 CD2 TYR A 82 4.806 6.027 5.913 1.00 0.00 C ATOM 1247 CE1 TYR A 82 6.967 6.099 7.626 1.00 0.00 C ATOM 1248 CE2 TYR A 82 5.514 7.201 6.077 1.00 0.00 C ATOM 1249 CZ TYR A 82 6.593 7.233 6.935 1.00 0.00 C ATOM 1250 OH TYR A 82 7.302 8.401 7.102 1.00 0.00 O ATOM 0 H TYR A 82 3.445 3.023 3.959 1.00 0.00 H new ATOM 0 HA TYR A 82 6.057 2.778 5.333 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.356 3.832 6.144 1.00 0.00 H new ATOM 0 HB3 TYR A 82 4.346 3.056 7.365 1.00 0.00 H new ATOM 0 HD1 TYR A 82 6.550 4.043 7.997 1.00 0.00 H new ATOM 0 HD2 TYR A 82 3.961 6.006 5.241 1.00 0.00 H new ATOM 0 HE1 TYR A 82 7.813 6.126 8.297 1.00 0.00 H new ATOM 0 HE2 TYR A 82 5.224 8.090 5.536 1.00 0.00 H new ATOM 0 HH TYR A 82 6.840 8.974 7.749 1.00 0.00 H new ATOM 1260 N HIS A 83 5.648 0.482 6.168 1.00 0.00 N ATOM 1261 CA HIS A 83 5.469 -0.919 6.530 1.00 0.00 C ATOM 1262 C HIS A 83 5.476 -1.094 8.046 1.00 0.00 C ATOM 1263 O HIS A 83 6.518 -0.967 8.690 1.00 0.00 O ATOM 1264 CB HIS A 83 6.569 -1.775 5.901 1.00 0.00 C ATOM 1265 CG HIS A 83 6.469 -3.229 6.247 1.00 0.00 C ATOM 1266 ND1 HIS A 83 7.422 -3.893 6.990 1.00 0.00 N ATOM 1267 CD2 HIS A 83 5.520 -4.146 5.949 1.00 0.00 C ATOM 1268 CE1 HIS A 83 7.064 -5.157 7.132 1.00 0.00 C ATOM 1269 NE2 HIS A 83 5.913 -5.336 6.510 1.00 0.00 N ATOM 0 H HIS A 83 6.591 0.839 6.319 1.00 0.00 H new ATOM 0 HA HIS A 83 4.502 -1.246 6.149 1.00 0.00 H new ATOM 0 HB2 HIS A 83 6.529 -1.664 4.817 1.00 0.00 H new ATOM 0 HB3 HIS A 83 7.540 -1.399 6.224 1.00 0.00 H new ATOM 0 HD2 HIS A 83 4.621 -3.974 5.376 1.00 0.00 H new ATOM 0 HE1 HIS A 83 7.618 -5.915 7.666 1.00 0.00 H new ATOM 0 HE2 HIS A 83 5.399 -6.215 6.455 1.00 0.00 H new ATOM 1278 N CYS A 84 4.308 -1.385 8.608 1.00 0.00 N ATOM 1279 CA CYS A 84 4.179 -1.575 10.048 1.00 0.00 C ATOM 1280 C CYS A 84 4.330 -3.047 10.418 1.00 0.00 C ATOM 1281 O CYS A 84 3.565 -3.896 9.957 1.00 0.00 O ATOM 1282 CB CYS A 84 2.827 -1.051 10.534 1.00 0.00 C ATOM 1283 SG CYS A 84 2.717 -0.841 12.327 1.00 0.00 S ATOM 0 H CYS A 84 3.437 -1.494 8.088 1.00 0.00 H new ATOM 0 HA CYS A 84 4.975 -1.013 10.536 1.00 0.00 H new ATOM 0 HB2 CYS A 84 2.627 -0.093 10.054 1.00 0.00 H new ATOM 0 HB3 CYS A 84 2.046 -1.739 10.211 1.00 0.00 H new ATOM 0 HG CYS A 84 2.604 0.423 12.610 1.00 0.00 H new ATOM 1289 N LYS A 85 5.321 -3.344 11.250 1.00 0.00 N ATOM 1290 CA LYS A 85 5.574 -4.714 11.682 1.00 0.00 C ATOM 1291 C LYS A 85 5.652 -4.799 13.203 1.00 0.00 C ATOM 1292 O LYS A 85 6.634 -4.367 13.809 1.00 0.00 O ATOM 1293 CB LYS A 85 6.874 -5.234 11.064 1.00 0.00 C ATOM 1294 CG LYS A 85 7.181 -6.678 11.419 1.00 0.00 C ATOM 1295 CD LYS A 85 8.335 -7.222 10.594 1.00 0.00 C ATOM 1296 CE LYS A 85 8.715 -8.630 11.027 1.00 0.00 C ATOM 1297 NZ LYS A 85 9.630 -8.621 12.201 1.00 0.00 N ATOM 0 H LYS A 85 5.963 -2.654 11.640 1.00 0.00 H new ATOM 0 HA LYS A 85 4.744 -5.334 11.343 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.814 -5.140 9.980 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.700 -4.604 11.393 1.00 0.00 H new ATOM 0 HG2 LYS A 85 7.425 -6.749 12.479 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.294 -7.290 11.254 1.00 0.00 H new ATOM 0 HD2 LYS A 85 8.059 -7.226 9.539 1.00 0.00 H new ATOM 0 HD3 LYS A 85 9.198 -6.564 10.695 1.00 0.00 H new ATOM 0 HE2 LYS A 85 7.813 -9.190 11.274 1.00 0.00 H new ATOM 0 HE3 LYS A 85 9.195 -9.148 10.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 10.283 -9.428 12.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 10.175 -7.735 12.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 9.073 -8.694 13.076 1.00 0.00 H new ATOM 1311 N ASP A 86 4.614 -5.359 13.814 1.00 0.00 N ATOM 1312 CA ASP A 86 4.567 -5.503 15.265 1.00 0.00 C ATOM 1313 C ASP A 86 4.832 -4.167 15.952 1.00 0.00 C ATOM 1314 O ASP A 86 5.528 -4.106 16.965 1.00 0.00 O ATOM 1315 CB ASP A 86 5.589 -6.542 15.729 1.00 0.00 C ATOM 1316 CG ASP A 86 5.230 -7.148 17.071 1.00 0.00 C ATOM 1317 OD1 ASP A 86 4.022 -7.288 17.355 1.00 0.00 O ATOM 1318 OD2 ASP A 86 6.157 -7.484 17.837 1.00 0.00 O ATOM 0 H ASP A 86 3.794 -5.721 13.328 1.00 0.00 H new ATOM 0 HA ASP A 86 3.568 -5.840 15.540 1.00 0.00 H new ATOM 0 HB2 ASP A 86 5.661 -7.334 14.984 1.00 0.00 H new ATOM 0 HB3 ASP A 86 6.572 -6.076 15.795 1.00 0.00 H new ATOM 1323 N GLY A 87 4.273 -3.098 15.394 1.00 0.00 N ATOM 1324 CA GLY A 87 4.462 -1.778 15.966 1.00 0.00 C ATOM 1325 C GLY A 87 5.553 -0.993 15.265 1.00 0.00 C ATOM 1326 O GLY A 87 5.385 0.191 14.973 1.00 0.00 O ATOM 0 H GLY A 87 3.692 -3.123 14.556 1.00 0.00 H new ATOM 0 HA2 GLY A 87 3.526 -1.223 15.909 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.711 -1.876 17.023 1.00 0.00 H new ATOM 1330 N GLU A 88 6.675 -1.653 14.995 1.00 0.00 N ATOM 1331 CA GLU A 88 7.798 -1.008 14.326 1.00 0.00 C ATOM 1332 C GLU A 88 7.398 -0.524 12.935 1.00 0.00 C ATOM 1333 O GLU A 88 6.509 -1.091 12.300 1.00 0.00 O ATOM 1334 CB GLU A 88 8.981 -1.973 14.221 1.00 0.00 C ATOM 1335 CG GLU A 88 9.640 -2.275 15.557 1.00 0.00 C ATOM 1336 CD GLU A 88 10.541 -1.151 16.031 1.00 0.00 C ATOM 1337 OE1 GLU A 88 11.692 -1.071 15.553 1.00 0.00 O ATOM 1338 OE2 GLU A 88 10.095 -0.352 16.880 1.00 0.00 O ATOM 0 H GLU A 88 6.830 -2.634 15.229 1.00 0.00 H new ATOM 0 HA GLU A 88 8.094 -0.144 14.921 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.639 -2.907 13.775 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.725 -1.551 13.546 1.00 0.00 H new ATOM 0 HG2 GLU A 88 8.869 -2.457 16.305 1.00 0.00 H new ATOM 0 HG3 GLU A 88 10.224 -3.192 15.471 1.00 0.00 H new ATOM 1345 N PHE A 89 8.061 0.530 12.468 1.00 0.00 N ATOM 1346 CA PHE A 89 7.774 1.092 11.154 1.00 0.00 C ATOM 1347 C PHE A 89 9.048 1.208 10.322 1.00 0.00 C ATOM 1348 O PHE A 89 10.154 1.235 10.862 1.00 0.00 O ATOM 1349 CB PHE A 89 7.118 2.467 11.296 1.00 0.00 C ATOM 1350 CG PHE A 89 5.756 2.418 11.929 1.00 0.00 C ATOM 1351 CD1 PHE A 89 4.624 2.224 11.154 1.00 0.00 C ATOM 1352 CD2 PHE A 89 5.609 2.567 13.299 1.00 0.00 C ATOM 1353 CE1 PHE A 89 3.370 2.178 11.733 1.00 0.00 C ATOM 1354 CE2 PHE A 89 4.358 2.522 13.883 1.00 0.00 C ATOM 1355 CZ PHE A 89 3.237 2.329 13.100 1.00 0.00 C ATOM 0 H PHE A 89 8.800 1.011 12.980 1.00 0.00 H new ATOM 0 HA PHE A 89 7.086 0.420 10.642 1.00 0.00 H new ATOM 0 HB2 PHE A 89 7.765 3.110 11.893 1.00 0.00 H new ATOM 0 HB3 PHE A 89 7.036 2.925 10.310 1.00 0.00 H new ATOM 0 HD1 PHE A 89 4.723 2.107 10.085 1.00 0.00 H new ATOM 0 HD2 PHE A 89 6.482 2.720 13.917 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.496 2.024 11.118 1.00 0.00 H new ATOM 0 HE2 PHE A 89 4.257 2.638 14.952 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.258 2.296 13.555 1.00 0.00 H new ATOM 1365 N ARG A 90 8.884 1.276 9.005 1.00 0.00 N ATOM 1366 CA ARG A 90 10.020 1.387 8.098 1.00 0.00 C ATOM 1367 C ARG A 90 9.575 1.890 6.728 1.00 0.00 C ATOM 1368 O ARG A 90 8.871 1.192 5.999 1.00 0.00 O ATOM 1369 CB ARG A 90 10.720 0.034 7.954 1.00 0.00 C ATOM 1370 CG ARG A 90 11.741 -0.243 9.045 1.00 0.00 C ATOM 1371 CD ARG A 90 12.721 -1.328 8.628 1.00 0.00 C ATOM 1372 NE ARG A 90 13.565 -1.760 9.739 1.00 0.00 N ATOM 1373 CZ ARG A 90 13.135 -2.530 10.732 1.00 0.00 C ATOM 1374 NH1 ARG A 90 11.878 -2.951 10.753 1.00 0.00 N ATOM 1375 NH2 ARG A 90 13.964 -2.881 11.708 1.00 0.00 N ATOM 0 H ARG A 90 7.975 1.256 8.542 1.00 0.00 H new ATOM 0 HA ARG A 90 10.721 2.107 8.520 1.00 0.00 H new ATOM 0 HB2 ARG A 90 9.969 -0.756 7.962 1.00 0.00 H new ATOM 0 HB3 ARG A 90 11.217 -0.007 6.985 1.00 0.00 H new ATOM 0 HG2 ARG A 90 12.286 0.672 9.275 1.00 0.00 H new ATOM 0 HG3 ARG A 90 11.227 -0.546 9.957 1.00 0.00 H new ATOM 0 HD2 ARG A 90 12.170 -2.184 8.238 1.00 0.00 H new ATOM 0 HD3 ARG A 90 13.349 -0.957 7.818 1.00 0.00 H new ATOM 0 HE ARG A 90 14.538 -1.454 9.753 1.00 0.00 H new ATOM 0 HH11 ARG A 90 11.238 -2.684 10.005 1.00 0.00 H new ATOM 0 HH12 ARG A 90 11.551 -3.542 11.517 1.00 0.00 H new ATOM 0 HH21 ARG A 90 14.932 -2.559 11.695 1.00 0.00 H new ATOM 0 HH22 ARG A 90 13.633 -3.472 12.470 1.00 0.00 H new ATOM 1389 N ARG A 91 9.990 3.105 6.387 1.00 0.00 N ATOM 1390 CA ARG A 91 9.633 3.703 5.105 1.00 0.00 C ATOM 1391 C ARG A 91 10.140 2.848 3.947 1.00 0.00 C ATOM 1392 O ARG A 91 11.345 2.645 3.793 1.00 0.00 O ATOM 1393 CB ARG A 91 10.207 5.117 5.000 1.00 0.00 C ATOM 1394 CG ARG A 91 10.145 5.696 3.596 1.00 0.00 C ATOM 1395 CD ARG A 91 10.362 7.201 3.604 1.00 0.00 C ATOM 1396 NE ARG A 91 11.761 7.552 3.829 1.00 0.00 N ATOM 1397 CZ ARG A 91 12.287 7.740 5.035 1.00 0.00 C ATOM 1398 NH1 ARG A 91 11.533 7.611 6.118 1.00 0.00 N ATOM 1399 NH2 ARG A 91 13.569 8.057 5.159 1.00 0.00 N ATOM 0 H ARG A 91 10.574 3.695 6.980 1.00 0.00 H new ATOM 0 HA ARG A 91 8.546 3.755 5.046 1.00 0.00 H new ATOM 0 HB2 ARG A 91 9.662 5.773 5.679 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.245 5.105 5.333 1.00 0.00 H new ATOM 0 HG2 ARG A 91 10.902 5.221 2.972 1.00 0.00 H new ATOM 0 HG3 ARG A 91 9.177 5.469 3.150 1.00 0.00 H new ATOM 0 HD2 ARG A 91 10.032 7.620 2.653 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.746 7.652 4.382 1.00 0.00 H new ATOM 0 HE ARG A 91 12.368 7.659 3.016 1.00 0.00 H new ATOM 0 HH11 ARG A 91 10.547 7.367 6.027 1.00 0.00 H new ATOM 0 HH12 ARG A 91 11.939 7.756 7.042 1.00 0.00 H new ATOM 0 HH21 ARG A 91 14.152 8.157 4.328 1.00 0.00 H new ATOM 0 HH22 ARG A 91 13.971 8.201 6.085 1.00 0.00 H new ATOM 1413 N TYR A 92 9.214 2.351 3.136 1.00 0.00 N ATOM 1414 CA TYR A 92 9.566 1.516 1.994 1.00 0.00 C ATOM 1415 C TYR A 92 10.319 2.324 0.941 1.00 0.00 C ATOM 1416 O TYR A 92 9.749 3.199 0.290 1.00 0.00 O ATOM 1417 CB TYR A 92 8.309 0.900 1.378 1.00 0.00 C ATOM 1418 CG TYR A 92 8.532 0.320 -0.001 1.00 0.00 C ATOM 1419 CD1 TYR A 92 8.379 1.104 -1.138 1.00 0.00 C ATOM 1420 CD2 TYR A 92 8.893 -1.011 -0.166 1.00 0.00 C ATOM 1421 CE1 TYR A 92 8.581 0.578 -2.400 1.00 0.00 C ATOM 1422 CE2 TYR A 92 9.098 -1.545 -1.423 1.00 0.00 C ATOM 1423 CZ TYR A 92 8.941 -0.746 -2.537 1.00 0.00 C ATOM 1424 OH TYR A 92 9.143 -1.275 -3.792 1.00 0.00 O ATOM 0 H TYR A 92 8.213 2.512 3.248 1.00 0.00 H new ATOM 0 HA TYR A 92 10.217 0.717 2.348 1.00 0.00 H new ATOM 0 HB2 TYR A 92 7.939 0.115 2.037 1.00 0.00 H new ATOM 0 HB3 TYR A 92 7.532 1.662 1.321 1.00 0.00 H new ATOM 0 HD1 TYR A 92 8.098 2.141 -1.034 1.00 0.00 H new ATOM 0 HD2 TYR A 92 9.016 -1.639 0.704 1.00 0.00 H new ATOM 0 HE1 TYR A 92 8.458 1.200 -3.274 1.00 0.00 H new ATOM 0 HE2 TYR A 92 9.380 -2.582 -1.533 1.00 0.00 H new ATOM 0 HH TYR A 92 9.361 -2.227 -3.714 1.00 0.00 H new ATOM 1434 N GLN A 93 11.603 2.022 0.779 1.00 0.00 N ATOM 1435 CA GLN A 93 12.435 2.719 -0.195 1.00 0.00 C ATOM 1436 C GLN A 93 12.660 1.859 -1.434 1.00 0.00 C ATOM 1437 O GLN A 93 13.714 1.244 -1.592 1.00 0.00 O ATOM 1438 CB GLN A 93 13.779 3.097 0.429 1.00 0.00 C ATOM 1439 CG GLN A 93 13.713 4.330 1.317 1.00 0.00 C ATOM 1440 CD GLN A 93 13.980 5.612 0.554 1.00 0.00 C ATOM 1441 OE1 GLN A 93 15.128 6.035 0.410 1.00 0.00 O ATOM 1442 NE2 GLN A 93 12.919 6.240 0.061 1.00 0.00 N ATOM 0 H GLN A 93 12.090 1.300 1.309 1.00 0.00 H new ATOM 0 HA GLN A 93 11.914 3.628 -0.496 1.00 0.00 H new ATOM 0 HB2 GLN A 93 14.147 2.256 1.017 1.00 0.00 H new ATOM 0 HB3 GLN A 93 14.503 3.271 -0.367 1.00 0.00 H new ATOM 0 HG2 GLN A 93 12.729 4.386 1.782 1.00 0.00 H new ATOM 0 HG3 GLN A 93 14.441 4.233 2.123 1.00 0.00 H new ATOM 0 HE21 GLN A 93 11.986 5.854 0.204 1.00 0.00 H new ATOM 0 HE22 GLN A 93 13.037 7.108 -0.461 1.00 0.00 H new ATOM 1451 N GLY A 94 11.661 1.820 -2.310 1.00 0.00 N ATOM 1452 CA GLY A 94 11.769 1.032 -3.524 1.00 0.00 C ATOM 1453 C GLY A 94 11.098 1.697 -4.709 1.00 0.00 C ATOM 1454 O GLY A 94 10.563 2.801 -4.608 1.00 0.00 O ATOM 0 H GLY A 94 10.779 2.320 -2.201 1.00 0.00 H new ATOM 0 HA2 GLY A 94 12.822 0.866 -3.753 1.00 0.00 H new ATOM 0 HA3 GLY A 94 11.320 0.053 -3.359 1.00 0.00 H new ATOM 1458 N PRO A 95 11.122 1.018 -5.866 1.00 0.00 N ATOM 1459 CA PRO A 95 10.516 1.531 -7.098 1.00 0.00 C ATOM 1460 C PRO A 95 8.993 1.553 -7.030 1.00 0.00 C ATOM 1461 O PRO A 95 8.333 2.150 -7.880 1.00 0.00 O ATOM 1462 CB PRO A 95 10.989 0.541 -8.165 1.00 0.00 C ATOM 1463 CG PRO A 95 11.255 -0.721 -7.419 1.00 0.00 C ATOM 1464 CD PRO A 95 11.742 -0.304 -6.059 1.00 0.00 C ATOM 0 HA PRO A 95 10.806 2.563 -7.295 1.00 0.00 H new ATOM 0 HB2 PRO A 95 10.230 0.394 -8.933 1.00 0.00 H new ATOM 0 HB3 PRO A 95 11.887 0.900 -8.668 1.00 0.00 H new ATOM 0 HG2 PRO A 95 10.352 -1.326 -7.341 1.00 0.00 H new ATOM 0 HG3 PRO A 95 12.002 -1.327 -7.932 1.00 0.00 H new ATOM 0 HD2 PRO A 95 11.433 -1.009 -5.288 1.00 0.00 H new ATOM 0 HD3 PRO A 95 12.830 -0.247 -6.022 1.00 0.00 H new ATOM 1472 N ARG A 96 8.442 0.899 -6.013 1.00 0.00 N ATOM 1473 CA ARG A 96 6.996 0.844 -5.834 1.00 0.00 C ATOM 1474 C ARG A 96 6.341 0.033 -6.949 1.00 0.00 C ATOM 1475 O ARG A 96 5.260 0.376 -7.429 1.00 0.00 O ATOM 1476 CB ARG A 96 6.409 2.256 -5.805 1.00 0.00 C ATOM 1477 CG ARG A 96 7.103 3.183 -4.820 1.00 0.00 C ATOM 1478 CD ARG A 96 6.311 4.463 -4.607 1.00 0.00 C ATOM 1479 NE ARG A 96 7.131 5.525 -4.029 1.00 0.00 N ATOM 1480 CZ ARG A 96 7.898 6.335 -4.749 1.00 0.00 C ATOM 1481 NH1 ARG A 96 7.949 6.207 -6.068 1.00 0.00 N ATOM 1482 NH2 ARG A 96 8.615 7.277 -4.151 1.00 0.00 N ATOM 0 H ARG A 96 8.975 0.400 -5.301 1.00 0.00 H new ATOM 0 HA ARG A 96 6.792 0.354 -4.882 1.00 0.00 H new ATOM 0 HB2 ARG A 96 6.473 2.688 -6.804 1.00 0.00 H new ATOM 0 HB3 ARG A 96 5.351 2.196 -5.551 1.00 0.00 H new ATOM 0 HG2 ARG A 96 7.233 2.671 -3.866 1.00 0.00 H new ATOM 0 HG3 ARG A 96 8.099 3.427 -5.189 1.00 0.00 H new ATOM 0 HD2 ARG A 96 5.902 4.799 -5.560 1.00 0.00 H new ATOM 0 HD3 ARG A 96 5.465 4.261 -3.951 1.00 0.00 H new ATOM 0 HE ARG A 96 7.113 5.651 -3.017 1.00 0.00 H new ATOM 0 HH11 ARG A 96 7.398 5.485 -6.532 1.00 0.00 H new ATOM 0 HH12 ARG A 96 8.539 6.831 -6.618 1.00 0.00 H new ATOM 0 HH21 ARG A 96 8.578 7.380 -3.137 1.00 0.00 H new ATOM 0 HH22 ARG A 96 9.204 7.899 -4.705 1.00 0.00 H new ATOM 1496 N THR A 97 7.004 -1.045 -7.358 1.00 0.00 N ATOM 1497 CA THR A 97 6.488 -1.903 -8.417 1.00 0.00 C ATOM 1498 C THR A 97 5.974 -3.223 -7.853 1.00 0.00 C ATOM 1499 O THR A 97 6.544 -3.771 -6.910 1.00 0.00 O ATOM 1500 CB THR A 97 7.566 -2.196 -9.478 1.00 0.00 C ATOM 1501 OG1 THR A 97 8.765 -2.656 -8.843 1.00 0.00 O ATOM 1502 CG2 THR A 97 7.867 -0.953 -10.302 1.00 0.00 C ATOM 0 H THR A 97 7.899 -1.344 -6.972 1.00 0.00 H new ATOM 0 HA THR A 97 5.664 -1.366 -8.886 1.00 0.00 H new ATOM 0 HB THR A 97 7.188 -2.971 -10.145 1.00 0.00 H new ATOM 0 HG1 THR A 97 9.445 -2.842 -9.524 1.00 0.00 H new ATOM 0 HG21 THR A 97 8.631 -1.185 -11.044 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.959 -0.622 -10.807 1.00 0.00 H new ATOM 0 HG23 THR A 97 8.227 -0.160 -9.646 1.00 0.00 H new ATOM 1510 N LYS A 98 4.893 -3.729 -8.438 1.00 0.00 N ATOM 1511 CA LYS A 98 4.302 -4.986 -7.996 1.00 0.00 C ATOM 1512 C LYS A 98 5.382 -5.972 -7.560 1.00 0.00 C ATOM 1513 O LYS A 98 5.476 -6.327 -6.385 1.00 0.00 O ATOM 1514 CB LYS A 98 3.459 -5.599 -9.116 1.00 0.00 C ATOM 1515 CG LYS A 98 2.294 -6.435 -8.614 1.00 0.00 C ATOM 1516 CD LYS A 98 1.806 -7.406 -9.675 1.00 0.00 C ATOM 1517 CE LYS A 98 2.569 -8.721 -9.621 1.00 0.00 C ATOM 1518 NZ LYS A 98 1.975 -9.745 -10.524 1.00 0.00 N ATOM 0 H LYS A 98 4.409 -3.287 -9.219 1.00 0.00 H new ATOM 0 HA LYS A 98 3.660 -4.775 -7.140 1.00 0.00 H new ATOM 0 HB2 LYS A 98 3.075 -4.799 -9.749 1.00 0.00 H new ATOM 0 HB3 LYS A 98 4.099 -6.221 -9.742 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.598 -6.988 -7.726 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.476 -5.779 -8.316 1.00 0.00 H new ATOM 0 HD2 LYS A 98 0.742 -7.596 -9.534 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.922 -6.957 -10.661 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.608 -8.549 -9.901 1.00 0.00 H new ATOM 0 HE3 LYS A 98 2.572 -9.097 -8.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.524 -10.626 -10.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 0.991 -9.928 -10.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 1.995 -9.397 -11.504 1.00 0.00 H new ATOM 1532 N LYS A 99 6.196 -6.410 -8.514 1.00 0.00 N ATOM 1533 CA LYS A 99 7.272 -7.353 -8.230 1.00 0.00 C ATOM 1534 C LYS A 99 7.997 -6.977 -6.942 1.00 0.00 C ATOM 1535 O LYS A 99 7.965 -7.720 -5.961 1.00 0.00 O ATOM 1536 CB LYS A 99 8.264 -7.392 -9.394 1.00 0.00 C ATOM 1537 CG LYS A 99 9.437 -8.329 -9.162 1.00 0.00 C ATOM 1538 CD LYS A 99 10.702 -7.815 -9.829 1.00 0.00 C ATOM 1539 CE LYS A 99 11.528 -6.965 -8.876 1.00 0.00 C ATOM 1540 NZ LYS A 99 12.513 -7.783 -8.115 1.00 0.00 N ATOM 0 H LYS A 99 6.131 -6.127 -9.492 1.00 0.00 H new ATOM 0 HA LYS A 99 6.832 -8.342 -8.103 1.00 0.00 H new ATOM 0 HB2 LYS A 99 7.738 -7.698 -10.298 1.00 0.00 H new ATOM 0 HB3 LYS A 99 8.643 -6.386 -9.571 1.00 0.00 H new ATOM 0 HG2 LYS A 99 9.609 -8.440 -8.091 1.00 0.00 H new ATOM 0 HG3 LYS A 99 9.196 -9.318 -9.551 1.00 0.00 H new ATOM 0 HD2 LYS A 99 11.299 -8.658 -10.177 1.00 0.00 H new ATOM 0 HD3 LYS A 99 10.438 -7.226 -10.708 1.00 0.00 H new ATOM 0 HE2 LYS A 99 12.054 -6.195 -9.440 1.00 0.00 H new ATOM 0 HE3 LYS A 99 10.865 -6.453 -8.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 13.056 -7.167 -7.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 12.010 -8.502 -7.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 13.162 -8.252 -8.779 1.00 0.00 H new ATOM 1554 N ASP A 100 8.650 -5.821 -6.952 1.00 0.00 N ATOM 1555 CA ASP A 100 9.382 -5.346 -5.783 1.00 0.00 C ATOM 1556 C ASP A 100 8.642 -5.701 -4.497 1.00 0.00 C ATOM 1557 O ASP A 100 9.153 -6.446 -3.661 1.00 0.00 O ATOM 1558 CB ASP A 100 9.589 -3.832 -5.865 1.00 0.00 C ATOM 1559 CG ASP A 100 10.837 -3.379 -5.133 1.00 0.00 C ATOM 1560 OD1 ASP A 100 10.793 -3.282 -3.889 1.00 0.00 O ATOM 1561 OD2 ASP A 100 11.858 -3.119 -5.805 1.00 0.00 O ATOM 0 H ASP A 100 8.688 -5.195 -7.756 1.00 0.00 H new ATOM 0 HA ASP A 100 10.354 -5.838 -5.769 1.00 0.00 H new ATOM 0 HB2 ASP A 100 9.656 -3.533 -6.911 1.00 0.00 H new ATOM 0 HB3 ASP A 100 8.720 -3.326 -5.444 1.00 0.00 H new ATOM 1566 N PHE A 101 7.436 -5.163 -4.346 1.00 0.00 N ATOM 1567 CA PHE A 101 6.627 -5.422 -3.161 1.00 0.00 C ATOM 1568 C PHE A 101 6.806 -6.860 -2.684 1.00 0.00 C ATOM 1569 O PHE A 101 7.191 -7.101 -1.539 1.00 0.00 O ATOM 1570 CB PHE A 101 5.150 -5.151 -3.457 1.00 0.00 C ATOM 1571 CG PHE A 101 4.842 -3.700 -3.691 1.00 0.00 C ATOM 1572 CD1 PHE A 101 5.427 -2.719 -2.907 1.00 0.00 C ATOM 1573 CD2 PHE A 101 3.967 -3.317 -4.695 1.00 0.00 C ATOM 1574 CE1 PHE A 101 5.144 -1.383 -3.119 1.00 0.00 C ATOM 1575 CE2 PHE A 101 3.681 -1.982 -4.913 1.00 0.00 C ATOM 1576 CZ PHE A 101 4.271 -1.014 -4.124 1.00 0.00 C ATOM 0 H PHE A 101 6.998 -4.545 -5.029 1.00 0.00 H new ATOM 0 HA PHE A 101 6.961 -4.751 -2.370 1.00 0.00 H new ATOM 0 HB2 PHE A 101 4.853 -5.724 -4.336 1.00 0.00 H new ATOM 0 HB3 PHE A 101 4.548 -5.512 -2.623 1.00 0.00 H new ATOM 0 HD1 PHE A 101 6.112 -3.001 -2.121 1.00 0.00 H new ATOM 0 HD2 PHE A 101 3.503 -4.070 -5.314 1.00 0.00 H new ATOM 0 HE1 PHE A 101 5.605 -0.628 -2.499 1.00 0.00 H new ATOM 0 HE2 PHE A 101 2.997 -1.697 -5.699 1.00 0.00 H new ATOM 0 HZ PHE A 101 4.050 0.030 -4.292 1.00 0.00 H new ATOM 1586 N ILE A 102 6.523 -7.810 -3.568 1.00 0.00 N ATOM 1587 CA ILE A 102 6.653 -9.224 -3.237 1.00 0.00 C ATOM 1588 C ILE A 102 7.934 -9.490 -2.454 1.00 0.00 C ATOM 1589 O ILE A 102 7.892 -9.892 -1.293 1.00 0.00 O ATOM 1590 CB ILE A 102 6.647 -10.101 -4.503 1.00 0.00 C ATOM 1591 CG1 ILE A 102 5.250 -10.124 -5.127 1.00 0.00 C ATOM 1592 CG2 ILE A 102 7.109 -11.512 -4.172 1.00 0.00 C ATOM 1593 CD1 ILE A 102 5.075 -9.129 -6.253 1.00 0.00 C ATOM 0 H ILE A 102 6.202 -7.627 -4.519 1.00 0.00 H new ATOM 0 HA ILE A 102 5.793 -9.484 -2.620 1.00 0.00 H new ATOM 0 HB ILE A 102 7.341 -9.673 -5.227 1.00 0.00 H new ATOM 0 HG12 ILE A 102 5.045 -11.126 -5.504 1.00 0.00 H new ATOM 0 HG13 ILE A 102 4.511 -9.918 -4.352 1.00 0.00 H new ATOM 0 HG21 ILE A 102 7.099 -12.120 -5.077 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.121 -11.478 -3.768 1.00 0.00 H new ATOM 0 HG23 ILE A 102 6.438 -11.951 -3.433 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.062 -9.201 -6.648 1.00 0.00 H new ATOM 0 HD12 ILE A 102 5.247 -8.120 -5.877 1.00 0.00 H new ATOM 0 HD13 ILE A 102 5.790 -9.348 -7.046 1.00 0.00 H new ATOM 1605 N ASN A 103 9.074 -9.260 -3.099 1.00 0.00 N ATOM 1606 CA ASN A 103 10.369 -9.473 -2.463 1.00 0.00 C ATOM 1607 C ASN A 103 10.473 -8.681 -1.163 1.00 0.00 C ATOM 1608 O ASN A 103 10.827 -9.227 -0.117 1.00 0.00 O ATOM 1609 CB ASN A 103 11.499 -9.069 -3.411 1.00 0.00 C ATOM 1610 CG ASN A 103 11.082 -7.976 -4.375 1.00 0.00 C ATOM 1611 OD1 ASN A 103 10.310 -8.345 -5.390 1.00 0.00 O flip ATOM 1612 ND2 ASN A 103 11.449 -6.813 -4.209 1.00 0.00 N flip ATOM 0 H ASN A 103 9.127 -8.926 -4.061 1.00 0.00 H new ATOM 0 HA ASN A 103 10.461 -10.534 -2.230 1.00 0.00 H new ATOM 0 HB2 ASN A 103 12.354 -8.728 -2.828 1.00 0.00 H new ATOM 0 HB3 ASN A 103 11.826 -9.942 -3.976 1.00 0.00 H new ATOM 0 HD21 ASN A 103 12.042 -6.574 -3.415 1.00 0.00 H new ATOM 0 HD22 ASN A 103 11.160 -6.088 -4.866 1.00 0.00 H new ATOM 1619 N PHE A 104 10.161 -7.392 -1.235 1.00 0.00 N ATOM 1620 CA PHE A 104 10.220 -6.524 -0.065 1.00 0.00 C ATOM 1621 C PHE A 104 9.494 -7.157 1.119 1.00 0.00 C ATOM 1622 O PHE A 104 9.804 -6.870 2.275 1.00 0.00 O ATOM 1623 CB PHE A 104 9.605 -5.159 -0.384 1.00 0.00 C ATOM 1624 CG PHE A 104 9.551 -4.235 0.799 1.00 0.00 C ATOM 1625 CD1 PHE A 104 10.695 -3.597 1.249 1.00 0.00 C ATOM 1626 CD2 PHE A 104 8.355 -4.005 1.460 1.00 0.00 C ATOM 1627 CE1 PHE A 104 10.649 -2.746 2.337 1.00 0.00 C ATOM 1628 CE2 PHE A 104 8.303 -3.154 2.548 1.00 0.00 C ATOM 1629 CZ PHE A 104 9.451 -2.525 2.988 1.00 0.00 C ATOM 0 H PHE A 104 9.864 -6.925 -2.092 1.00 0.00 H new ATOM 0 HA PHE A 104 11.268 -6.389 0.203 1.00 0.00 H new ATOM 0 HB2 PHE A 104 10.182 -4.686 -1.178 1.00 0.00 H new ATOM 0 HB3 PHE A 104 8.595 -5.305 -0.767 1.00 0.00 H new ATOM 0 HD1 PHE A 104 11.634 -3.767 0.744 1.00 0.00 H new ATOM 0 HD2 PHE A 104 7.454 -4.496 1.122 1.00 0.00 H new ATOM 0 HE1 PHE A 104 11.548 -2.255 2.678 1.00 0.00 H new ATOM 0 HE2 PHE A 104 7.365 -2.981 3.054 1.00 0.00 H new ATOM 0 HZ PHE A 104 9.412 -1.862 3.839 1.00 0.00 H new ATOM 1639 N ILE A 105 8.528 -8.019 0.820 1.00 0.00 N ATOM 1640 CA ILE A 105 7.759 -8.693 1.859 1.00 0.00 C ATOM 1641 C ILE A 105 8.380 -10.039 2.216 1.00 0.00 C ATOM 1642 O ILE A 105 8.749 -10.278 3.366 1.00 0.00 O ATOM 1643 CB ILE A 105 6.298 -8.914 1.423 1.00 0.00 C ATOM 1644 CG1 ILE A 105 5.613 -7.572 1.160 1.00 0.00 C ATOM 1645 CG2 ILE A 105 5.543 -9.702 2.484 1.00 0.00 C ATOM 1646 CD1 ILE A 105 5.521 -6.690 2.386 1.00 0.00 C ATOM 0 H ILE A 105 8.259 -8.267 -0.132 1.00 0.00 H new ATOM 0 HA ILE A 105 7.775 -8.044 2.735 1.00 0.00 H new ATOM 0 HB ILE A 105 6.293 -9.490 0.498 1.00 0.00 H new ATOM 0 HG12 ILE A 105 6.159 -7.041 0.380 1.00 0.00 H new ATOM 0 HG13 ILE A 105 4.609 -7.755 0.778 1.00 0.00 H new ATOM 0 HG21 ILE A 105 4.512 -9.850 2.162 1.00 0.00 H new ATOM 0 HG22 ILE A 105 6.022 -10.671 2.627 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.554 -9.150 3.424 1.00 0.00 H new ATOM 0 HD11 ILE A 105 5.024 -5.755 2.125 1.00 0.00 H new ATOM 0 HD12 ILE A 105 4.949 -7.202 3.160 1.00 0.00 H new ATOM 0 HD13 ILE A 105 6.524 -6.477 2.757 1.00 0.00 H new ATOM 1658 N SER A 106 8.495 -10.915 1.223 1.00 0.00 N ATOM 1659 CA SER A 106 9.070 -12.238 1.433 1.00 0.00 C ATOM 1660 C SER A 106 10.514 -12.133 1.916 1.00 0.00 C ATOM 1661 O SER A 106 10.872 -12.681 2.958 1.00 0.00 O ATOM 1662 CB SER A 106 9.012 -13.054 0.140 1.00 0.00 C ATOM 1663 OG SER A 106 9.433 -14.389 0.359 1.00 0.00 O ATOM 0 H SER A 106 8.197 -10.732 0.265 1.00 0.00 H new ATOM 0 HA SER A 106 8.484 -12.743 2.200 1.00 0.00 H new ATOM 0 HB2 SER A 106 7.994 -13.050 -0.251 1.00 0.00 H new ATOM 0 HB3 SER A 106 9.645 -12.589 -0.616 1.00 0.00 H new ATOM 0 HG SER A 106 9.385 -14.889 -0.482 1.00 0.00 H new ATOM 1669 N ASP A 107 11.337 -11.424 1.151 1.00 0.00 N ATOM 1670 CA ASP A 107 12.741 -11.245 1.501 1.00 0.00 C ATOM 1671 C ASP A 107 12.888 -10.317 2.703 1.00 0.00 C ATOM 1672 O ASP A 107 13.974 -10.180 3.267 1.00 0.00 O ATOM 1673 CB ASP A 107 13.518 -10.683 0.309 1.00 0.00 C ATOM 1674 CG ASP A 107 13.928 -11.760 -0.675 1.00 0.00 C ATOM 1675 OD1 ASP A 107 14.277 -12.872 -0.226 1.00 0.00 O ATOM 1676 OD2 ASP A 107 13.900 -11.492 -1.895 1.00 0.00 O ATOM 0 H ASP A 107 11.056 -10.964 0.285 1.00 0.00 H new ATOM 0 HA ASP A 107 13.151 -12.220 1.765 1.00 0.00 H new ATOM 0 HB2 ASP A 107 12.905 -9.941 -0.203 1.00 0.00 H new ATOM 0 HB3 ASP A 107 14.408 -10.167 0.670 1.00 0.00 H new ATOM 1681 N LYS A 108 11.788 -9.680 3.090 1.00 0.00 N ATOM 1682 CA LYS A 108 11.792 -8.764 4.224 1.00 0.00 C ATOM 1683 C LYS A 108 12.942 -7.767 4.115 1.00 0.00 C ATOM 1684 O LYS A 108 13.684 -7.555 5.073 1.00 0.00 O ATOM 1685 CB LYS A 108 11.904 -9.546 5.536 1.00 0.00 C ATOM 1686 CG LYS A 108 10.804 -10.575 5.726 1.00 0.00 C ATOM 1687 CD LYS A 108 11.146 -11.559 6.832 1.00 0.00 C ATOM 1688 CE LYS A 108 11.901 -12.764 6.291 1.00 0.00 C ATOM 1689 NZ LYS A 108 12.418 -13.632 7.385 1.00 0.00 N ATOM 0 H LYS A 108 10.881 -9.782 2.634 1.00 0.00 H new ATOM 0 HA LYS A 108 10.853 -8.211 4.216 1.00 0.00 H new ATOM 0 HB2 LYS A 108 12.870 -10.049 5.568 1.00 0.00 H new ATOM 0 HB3 LYS A 108 11.882 -8.845 6.370 1.00 0.00 H new ATOM 0 HG2 LYS A 108 9.868 -10.069 5.964 1.00 0.00 H new ATOM 0 HG3 LYS A 108 10.645 -11.116 4.793 1.00 0.00 H new ATOM 0 HD2 LYS A 108 11.750 -11.060 7.590 1.00 0.00 H new ATOM 0 HD3 LYS A 108 10.230 -11.891 7.321 1.00 0.00 H new ATOM 0 HE2 LYS A 108 11.242 -13.346 5.646 1.00 0.00 H new ATOM 0 HE3 LYS A 108 12.732 -12.424 5.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 12.926 -14.442 6.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 13.067 -13.084 7.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 11.623 -13.977 7.959 1.00 0.00 H new ATOM 1703 N GLU A 109 13.081 -7.159 2.941 1.00 0.00 N ATOM 1704 CA GLU A 109 14.140 -6.184 2.708 1.00 0.00 C ATOM 1705 C GLU A 109 14.056 -5.038 3.713 1.00 0.00 C ATOM 1706 O GLU A 109 15.075 -4.481 4.122 1.00 0.00 O ATOM 1707 CB GLU A 109 14.053 -5.634 1.283 1.00 0.00 C ATOM 1708 CG GLU A 109 14.323 -6.676 0.211 1.00 0.00 C ATOM 1709 CD GLU A 109 14.426 -6.073 -1.177 1.00 0.00 C ATOM 1710 OE1 GLU A 109 13.670 -5.122 -1.467 1.00 0.00 O ATOM 1711 OE2 GLU A 109 15.261 -6.552 -1.972 1.00 0.00 O ATOM 0 H GLU A 109 12.475 -7.324 2.138 1.00 0.00 H new ATOM 0 HA GLU A 109 15.098 -6.688 2.837 1.00 0.00 H new ATOM 0 HB2 GLU A 109 13.061 -5.212 1.126 1.00 0.00 H new ATOM 0 HB3 GLU A 109 14.768 -4.818 1.173 1.00 0.00 H new ATOM 0 HG2 GLU A 109 15.249 -7.200 0.445 1.00 0.00 H new ATOM 0 HG3 GLU A 109 13.525 -7.418 0.222 1.00 0.00 H new ATOM 1718 N TRP A 110 12.835 -4.693 4.106 1.00 0.00 N ATOM 1719 CA TRP A 110 12.617 -3.614 5.062 1.00 0.00 C ATOM 1720 C TRP A 110 13.695 -3.616 6.140 1.00 0.00 C ATOM 1721 O TRP A 110 14.146 -2.559 6.584 1.00 0.00 O ATOM 1722 CB TRP A 110 11.235 -3.745 5.704 1.00 0.00 C ATOM 1723 CG TRP A 110 10.924 -5.137 6.165 1.00 0.00 C ATOM 1724 CD1 TRP A 110 10.338 -6.130 5.434 1.00 0.00 C ATOM 1725 CD2 TRP A 110 11.182 -5.688 7.461 1.00 0.00 C ATOM 1726 NE1 TRP A 110 10.216 -7.266 6.198 1.00 0.00 N ATOM 1727 CE2 TRP A 110 10.727 -7.021 7.445 1.00 0.00 C ATOM 1728 CE3 TRP A 110 11.755 -5.187 8.633 1.00 0.00 C ATOM 1729 CZ2 TRP A 110 10.827 -7.855 8.555 1.00 0.00 C ATOM 1730 CZ3 TRP A 110 11.853 -6.015 9.734 1.00 0.00 C ATOM 1731 CH2 TRP A 110 11.392 -7.338 9.689 1.00 0.00 C ATOM 0 H TRP A 110 11.981 -5.145 3.778 1.00 0.00 H new ATOM 0 HA TRP A 110 12.671 -2.668 4.523 1.00 0.00 H new ATOM 0 HB2 TRP A 110 11.171 -3.066 6.554 1.00 0.00 H new ATOM 0 HB3 TRP A 110 10.477 -3.430 4.986 1.00 0.00 H new ATOM 0 HD1 TRP A 110 10.018 -6.037 4.407 1.00 0.00 H new ATOM 0 HE1 TRP A 110 9.811 -8.149 5.887 1.00 0.00 H new ATOM 0 HE3 TRP A 110 12.115 -4.170 8.677 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 10.471 -8.874 8.522 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 12.292 -5.637 10.645 1.00 0.00 H new ATOM 0 HH2 TRP A 110 11.485 -7.961 10.566 1.00 0.00 H new ATOM 1742 N LYS A 111 14.104 -4.808 6.559 1.00 0.00 N ATOM 1743 CA LYS A 111 15.131 -4.949 7.585 1.00 0.00 C ATOM 1744 C LYS A 111 16.315 -4.032 7.299 1.00 0.00 C ATOM 1745 O LYS A 111 16.771 -3.297 8.175 1.00 0.00 O ATOM 1746 CB LYS A 111 15.604 -6.401 7.667 1.00 0.00 C ATOM 1747 CG LYS A 111 14.579 -7.343 8.274 1.00 0.00 C ATOM 1748 CD LYS A 111 14.736 -7.439 9.783 1.00 0.00 C ATOM 1749 CE LYS A 111 14.229 -8.772 10.312 1.00 0.00 C ATOM 1750 NZ LYS A 111 15.300 -9.807 10.323 1.00 0.00 N ATOM 0 H LYS A 111 13.740 -5.692 6.204 1.00 0.00 H new ATOM 0 HA LYS A 111 14.695 -4.662 8.542 1.00 0.00 H new ATOM 0 HB2 LYS A 111 15.856 -6.749 6.665 1.00 0.00 H new ATOM 0 HB3 LYS A 111 16.519 -6.443 8.259 1.00 0.00 H new ATOM 0 HG2 LYS A 111 13.575 -6.994 8.033 1.00 0.00 H new ATOM 0 HG3 LYS A 111 14.687 -8.334 7.832 1.00 0.00 H new ATOM 0 HD2 LYS A 111 15.786 -7.316 10.049 1.00 0.00 H new ATOM 0 HD3 LYS A 111 14.189 -6.625 10.259 1.00 0.00 H new ATOM 0 HE2 LYS A 111 13.842 -8.639 11.322 1.00 0.00 H new ATOM 0 HE3 LYS A 111 13.398 -9.115 9.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 14.915 -10.701 10.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 15.652 -9.953 9.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 16.082 -9.491 10.932 1.00 0.00 H new ATOM 1764 N SER A 112 16.809 -4.079 6.066 1.00 0.00 N ATOM 1765 CA SER A 112 17.943 -3.254 5.664 1.00 0.00 C ATOM 1766 C SER A 112 17.621 -1.771 5.828 1.00 0.00 C ATOM 1767 O SER A 112 18.520 -0.941 5.961 1.00 0.00 O ATOM 1768 CB SER A 112 18.325 -3.547 4.212 1.00 0.00 C ATOM 1769 OG SER A 112 17.328 -3.082 3.319 1.00 0.00 O ATOM 0 H SER A 112 16.442 -4.680 5.328 1.00 0.00 H new ATOM 0 HA SER A 112 18.786 -3.499 6.310 1.00 0.00 H new ATOM 0 HB2 SER A 112 19.277 -3.070 3.980 1.00 0.00 H new ATOM 0 HB3 SER A 112 18.465 -4.620 4.079 1.00 0.00 H new ATOM 0 HG SER A 112 16.477 -3.524 3.520 1.00 0.00 H new ATOM 1775 N ILE A 113 16.332 -1.448 5.817 1.00 0.00 N ATOM 1776 CA ILE A 113 15.891 -0.067 5.966 1.00 0.00 C ATOM 1777 C ILE A 113 15.840 0.340 7.435 1.00 0.00 C ATOM 1778 O ILE A 113 15.504 -0.468 8.300 1.00 0.00 O ATOM 1779 CB ILE A 113 14.502 0.151 5.337 1.00 0.00 C ATOM 1780 CG1 ILE A 113 14.517 -0.254 3.862 1.00 0.00 C ATOM 1781 CG2 ILE A 113 14.074 1.603 5.488 1.00 0.00 C ATOM 1782 CD1 ILE A 113 13.137 -0.395 3.260 1.00 0.00 C ATOM 0 H ILE A 113 15.576 -2.123 5.707 1.00 0.00 H new ATOM 0 HA ILE A 113 16.620 0.554 5.445 1.00 0.00 H new ATOM 0 HB ILE A 113 13.780 -0.477 5.860 1.00 0.00 H new ATOM 0 HG12 ILE A 113 15.078 0.489 3.295 1.00 0.00 H new ATOM 0 HG13 ILE A 113 15.048 -1.200 3.759 1.00 0.00 H new ATOM 0 HG21 ILE A 113 13.091 1.741 5.039 1.00 0.00 H new ATOM 0 HG22 ILE A 113 14.029 1.861 6.546 1.00 0.00 H new ATOM 0 HG23 ILE A 113 14.795 2.249 4.988 1.00 0.00 H new ATOM 0 HD11 ILE A 113 13.225 -0.684 2.213 1.00 0.00 H new ATOM 0 HD12 ILE A 113 12.580 -1.159 3.802 1.00 0.00 H new ATOM 0 HD13 ILE A 113 12.610 0.557 3.331 1.00 0.00 H new ATOM 1794 N GLU A 114 16.176 1.597 7.708 1.00 0.00 N ATOM 1795 CA GLU A 114 16.168 2.110 9.072 1.00 0.00 C ATOM 1796 C GLU A 114 14.739 2.312 9.569 1.00 0.00 C ATOM 1797 O GLU A 114 13.838 2.676 8.813 1.00 0.00 O ATOM 1798 CB GLU A 114 16.938 3.430 9.149 1.00 0.00 C ATOM 1799 CG GLU A 114 18.385 3.317 8.700 1.00 0.00 C ATOM 1800 CD GLU A 114 18.528 3.306 7.191 1.00 0.00 C ATOM 1801 OE1 GLU A 114 18.489 4.395 6.582 1.00 0.00 O ATOM 1802 OE2 GLU A 114 18.680 2.206 6.618 1.00 0.00 O ATOM 0 H GLU A 114 16.457 2.278 7.003 1.00 0.00 H new ATOM 0 HA GLU A 114 16.656 1.375 9.712 1.00 0.00 H new ATOM 0 HB2 GLU A 114 16.432 4.173 8.532 1.00 0.00 H new ATOM 0 HB3 GLU A 114 16.912 3.797 10.175 1.00 0.00 H new ATOM 0 HG2 GLU A 114 18.955 4.151 9.109 1.00 0.00 H new ATOM 0 HG3 GLU A 114 18.818 2.404 9.109 1.00 0.00 H new ATOM 1809 N PRO A 115 14.525 2.071 10.871 1.00 0.00 N ATOM 1810 CA PRO A 115 13.209 2.220 11.498 1.00 0.00 C ATOM 1811 C PRO A 115 12.776 3.678 11.598 1.00 0.00 C ATOM 1812 O PRO A 115 13.603 4.588 11.540 1.00 0.00 O ATOM 1813 CB PRO A 115 13.412 1.626 12.895 1.00 0.00 C ATOM 1814 CG PRO A 115 14.870 1.779 13.163 1.00 0.00 C ATOM 1815 CD PRO A 115 15.553 1.634 11.831 1.00 0.00 C ATOM 0 HA PRO A 115 12.425 1.730 10.921 1.00 0.00 H new ATOM 0 HB2 PRO A 115 12.815 2.153 13.640 1.00 0.00 H new ATOM 0 HB3 PRO A 115 13.111 0.579 12.928 1.00 0.00 H new ATOM 0 HG2 PRO A 115 15.085 2.750 13.608 1.00 0.00 H new ATOM 0 HG3 PRO A 115 15.219 1.022 13.865 1.00 0.00 H new ATOM 0 HD2 PRO A 115 16.449 2.252 11.769 1.00 0.00 H new ATOM 0 HD3 PRO A 115 15.862 0.605 11.648 1.00 0.00 H new ATOM 1823 N VAL A 116 11.473 3.895 11.748 1.00 0.00 N ATOM 1824 CA VAL A 116 10.930 5.243 11.856 1.00 0.00 C ATOM 1825 C VAL A 116 10.961 5.734 13.300 1.00 0.00 C ATOM 1826 O VAL A 116 10.781 4.954 14.235 1.00 0.00 O ATOM 1827 CB VAL A 116 9.482 5.309 11.335 1.00 0.00 C ATOM 1828 CG1 VAL A 116 9.036 6.755 11.178 1.00 0.00 C ATOM 1829 CG2 VAL A 116 9.356 4.558 10.018 1.00 0.00 C ATOM 0 H VAL A 116 10.774 3.154 11.797 1.00 0.00 H new ATOM 0 HA VAL A 116 11.559 5.887 11.242 1.00 0.00 H new ATOM 0 HB VAL A 116 8.829 4.830 12.065 1.00 0.00 H new ATOM 0 HG11 VAL A 116 8.011 6.781 10.809 1.00 0.00 H new ATOM 0 HG12 VAL A 116 9.087 7.258 12.143 1.00 0.00 H new ATOM 0 HG13 VAL A 116 9.690 7.263 10.469 1.00 0.00 H new ATOM 0 HG21 VAL A 116 8.327 4.615 9.664 1.00 0.00 H new ATOM 0 HG22 VAL A 116 10.019 5.007 9.278 1.00 0.00 H new ATOM 0 HG23 VAL A 116 9.632 3.514 10.167 1.00 0.00 H new ATOM 1839 N SER A 117 11.191 7.031 13.473 1.00 0.00 N ATOM 1840 CA SER A 117 11.249 7.626 14.803 1.00 0.00 C ATOM 1841 C SER A 117 10.248 6.958 15.741 1.00 0.00 C ATOM 1842 O SER A 117 9.174 6.531 15.319 1.00 0.00 O ATOM 1843 CB SER A 117 10.969 9.128 14.726 1.00 0.00 C ATOM 1844 OG SER A 117 11.149 9.746 15.989 1.00 0.00 O ATOM 0 H SER A 117 11.340 7.690 12.709 1.00 0.00 H new ATOM 0 HA SER A 117 12.252 7.471 15.200 1.00 0.00 H new ATOM 0 HB2 SER A 117 11.634 9.588 13.995 1.00 0.00 H new ATOM 0 HB3 SER A 117 9.949 9.294 14.379 1.00 0.00 H new ATOM 0 HG SER A 117 10.966 10.706 15.913 1.00 0.00 H new ATOM 1850 N SER A 118 10.610 6.872 17.018 1.00 0.00 N ATOM 1851 CA SER A 118 9.746 6.253 18.017 1.00 0.00 C ATOM 1852 C SER A 118 8.282 6.590 17.753 1.00 0.00 C ATOM 1853 O SER A 118 7.926 7.753 17.560 1.00 0.00 O ATOM 1854 CB SER A 118 10.143 6.714 19.420 1.00 0.00 C ATOM 1855 OG SER A 118 11.476 6.342 19.722 1.00 0.00 O ATOM 0 H SER A 118 11.495 7.223 17.385 1.00 0.00 H new ATOM 0 HA SER A 118 9.869 5.172 17.949 1.00 0.00 H new ATOM 0 HB2 SER A 118 10.039 7.797 19.493 1.00 0.00 H new ATOM 0 HB3 SER A 118 9.466 6.278 20.154 1.00 0.00 H new ATOM 0 HG SER A 118 11.705 6.650 20.624 1.00 0.00 H new ATOM 1861 N TRP A 119 7.438 5.565 17.746 1.00 0.00 N ATOM 1862 CA TRP A 119 6.011 5.751 17.505 1.00 0.00 C ATOM 1863 C TRP A 119 5.324 6.335 18.735 1.00 0.00 C ATOM 1864 O TRP A 119 4.877 5.600 19.616 1.00 0.00 O ATOM 1865 CB TRP A 119 5.359 4.421 17.125 1.00 0.00 C ATOM 1866 CG TRP A 119 3.862 4.482 17.088 1.00 0.00 C ATOM 1867 CD1 TRP A 119 3.006 4.219 18.119 1.00 0.00 C ATOM 1868 CD2 TRP A 119 3.046 4.826 15.963 1.00 0.00 C ATOM 1869 NE1 TRP A 119 1.706 4.379 17.702 1.00 0.00 N ATOM 1870 CE2 TRP A 119 1.704 4.752 16.384 1.00 0.00 C ATOM 1871 CE3 TRP A 119 3.318 5.191 14.642 1.00 0.00 C ATOM 1872 CZ2 TRP A 119 0.640 5.029 15.530 1.00 0.00 C ATOM 1873 CZ3 TRP A 119 2.261 5.465 13.796 1.00 0.00 C ATOM 1874 CH2 TRP A 119 0.935 5.384 14.242 1.00 0.00 C ATOM 0 H TRP A 119 7.716 4.597 17.904 1.00 0.00 H new ATOM 0 HA TRP A 119 5.895 6.453 16.679 1.00 0.00 H new ATOM 0 HB2 TRP A 119 5.727 4.111 16.147 1.00 0.00 H new ATOM 0 HB3 TRP A 119 5.667 3.657 17.839 1.00 0.00 H new ATOM 0 HD1 TRP A 119 3.306 3.928 19.115 1.00 0.00 H new ATOM 0 HE1 TRP A 119 0.877 4.242 18.280 1.00 0.00 H new ATOM 0 HE3 TRP A 119 4.336 5.258 14.289 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -0.382 4.966 15.872 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 2.460 5.747 12.773 1.00 0.00 H new ATOM 0 HH2 TRP A 119 0.131 5.606 13.556 1.00 0.00 H new ATOM 1885 N PHE A 120 5.242 7.660 18.788 1.00 0.00 N ATOM 1886 CA PHE A 120 4.610 8.342 19.911 1.00 0.00 C ATOM 1887 C PHE A 120 3.110 8.497 19.678 1.00 0.00 C ATOM 1888 O PHE A 120 2.660 9.483 19.092 1.00 0.00 O ATOM 1889 CB PHE A 120 5.248 9.716 20.127 1.00 0.00 C ATOM 1890 CG PHE A 120 4.993 10.288 21.492 1.00 0.00 C ATOM 1891 CD1 PHE A 120 3.833 10.999 21.753 1.00 0.00 C ATOM 1892 CD2 PHE A 120 5.913 10.115 22.513 1.00 0.00 C ATOM 1893 CE1 PHE A 120 3.596 11.527 23.008 1.00 0.00 C ATOM 1894 CE2 PHE A 120 5.681 10.641 23.770 1.00 0.00 C ATOM 1895 CZ PHE A 120 4.521 11.347 24.018 1.00 0.00 C ATOM 0 H PHE A 120 5.605 8.283 18.066 1.00 0.00 H new ATOM 0 HA PHE A 120 4.761 7.735 20.804 1.00 0.00 H new ATOM 0 HB2 PHE A 120 6.324 9.637 19.970 1.00 0.00 H new ATOM 0 HB3 PHE A 120 4.866 10.407 19.375 1.00 0.00 H new ATOM 0 HD1 PHE A 120 3.106 11.142 20.967 1.00 0.00 H new ATOM 0 HD2 PHE A 120 6.822 9.563 22.325 1.00 0.00 H new ATOM 0 HE1 PHE A 120 2.688 12.080 23.199 1.00 0.00 H new ATOM 0 HE2 PHE A 120 6.407 10.500 24.557 1.00 0.00 H new ATOM 0 HZ PHE A 120 4.337 11.758 25.000 1.00 0.00 H new ATOM 1905 N SER A 121 2.340 7.517 20.140 1.00 0.00 N ATOM 1906 CA SER A 121 0.891 7.542 19.978 1.00 0.00 C ATOM 1907 C SER A 121 0.231 6.460 20.828 1.00 0.00 C ATOM 1908 O SER A 121 0.536 5.276 20.692 1.00 0.00 O ATOM 1909 CB SER A 121 0.518 7.349 18.507 1.00 0.00 C ATOM 1910 OG SER A 121 -0.878 7.158 18.356 1.00 0.00 O ATOM 0 H SER A 121 2.695 6.696 20.630 1.00 0.00 H new ATOM 0 HA SER A 121 0.529 8.514 20.313 1.00 0.00 H new ATOM 0 HB2 SER A 121 0.834 8.219 17.931 1.00 0.00 H new ATOM 0 HB3 SER A 121 1.052 6.489 18.103 1.00 0.00 H new ATOM 0 HG SER A 121 -1.064 6.207 18.207 1.00 0.00 H new ATOM 1916 N GLY A 122 -0.676 6.877 21.706 1.00 0.00 N ATOM 1917 CA GLY A 122 -1.365 5.933 22.566 1.00 0.00 C ATOM 1918 C GLY A 122 -2.869 6.124 22.549 1.00 0.00 C ATOM 1919 O GLY A 122 -3.572 5.608 21.680 1.00 0.00 O ATOM 0 H GLY A 122 -0.946 7.852 21.837 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -1.127 4.917 22.250 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -0.999 6.043 23.587 1.00 0.00 H new ATOM 1923 N PRO A 123 -3.384 6.881 23.529 1.00 0.00 N ATOM 1924 CA PRO A 123 -4.819 7.155 23.646 1.00 0.00 C ATOM 1925 C PRO A 123 -5.326 8.072 22.538 1.00 0.00 C ATOM 1926 O PRO A 123 -6.505 8.423 22.501 1.00 0.00 O ATOM 1927 CB PRO A 123 -4.939 7.845 25.007 1.00 0.00 C ATOM 1928 CG PRO A 123 -3.600 8.454 25.243 1.00 0.00 C ATOM 1929 CD PRO A 123 -2.605 7.528 24.599 1.00 0.00 C ATOM 0 HA PRO A 123 -5.415 6.247 23.559 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -5.723 8.603 24.999 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -5.193 7.132 25.791 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -3.543 9.452 24.808 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -3.402 8.559 26.310 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -1.749 8.072 24.200 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -2.216 6.799 25.310 1.00 0.00 H new ATOM 1937 N SER A 124 -4.428 8.456 21.636 1.00 0.00 N ATOM 1938 CA SER A 124 -4.785 9.334 20.529 1.00 0.00 C ATOM 1939 C SER A 124 -5.183 10.716 21.038 1.00 0.00 C ATOM 1940 O SER A 124 -6.199 11.273 20.624 1.00 0.00 O ATOM 1941 CB SER A 124 -5.931 8.728 19.717 1.00 0.00 C ATOM 1942 OG SER A 124 -5.632 7.399 19.326 1.00 0.00 O ATOM 0 H SER A 124 -3.448 8.173 21.651 1.00 0.00 H new ATOM 0 HA SER A 124 -3.911 9.440 19.886 1.00 0.00 H new ATOM 0 HB2 SER A 124 -6.846 8.739 20.309 1.00 0.00 H new ATOM 0 HB3 SER A 124 -6.116 9.338 18.833 1.00 0.00 H new ATOM 0 HG SER A 124 -6.381 7.034 18.810 1.00 0.00 H new ATOM 1948 N SER A 125 -4.373 11.264 21.938 1.00 0.00 N ATOM 1949 CA SER A 125 -4.641 12.579 22.508 1.00 0.00 C ATOM 1950 C SER A 125 -3.340 13.324 22.792 1.00 0.00 C ATOM 1951 O SER A 125 -2.630 13.014 23.748 1.00 0.00 O ATOM 1952 CB SER A 125 -5.456 12.444 23.796 1.00 0.00 C ATOM 1953 OG SER A 125 -4.688 11.845 24.825 1.00 0.00 O ATOM 0 H SER A 125 -3.525 10.818 22.288 1.00 0.00 H new ATOM 0 HA SER A 125 -5.216 13.152 21.781 1.00 0.00 H new ATOM 0 HB2 SER A 125 -5.798 13.428 24.119 1.00 0.00 H new ATOM 0 HB3 SER A 125 -6.346 11.844 23.606 1.00 0.00 H new ATOM 0 HG SER A 125 -3.798 12.254 24.849 1.00 0.00 H new ATOM 1959 N GLY A 126 -3.034 14.309 21.953 1.00 0.00 N ATOM 1960 CA GLY A 126 -1.820 15.084 22.130 1.00 0.00 C ATOM 1961 C GLY A 126 -1.876 15.981 23.350 1.00 0.00 C ATOM 1962 O GLY A 126 -2.909 16.587 23.636 1.00 0.00 O ATOM 0 H GLY A 126 -3.605 14.584 21.154 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -0.971 14.407 22.220 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -1.649 15.693 21.243 1.00 0.00 H new TER 1966 GLY A 126