USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 423 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 105 ASN : amide:sc= -0.415 K(o=-5.2,f=-9.3!) USER MOD Set 1.2: A 106 GLN : amide:sc= -4.83! C(o=-5.2!,f=-9.1!) USER MOD Set 2.1: A 71 ASN : amide:sc= 1.13 K(o=1.1,f=-5.4) USER MOD Set 2.2: A 74 CYS SG : rot 63:sc= 0.0218 USER MOD Set 2.3: A 86 ASN : amide:sc= -0.0234 K(o=1.1,f=0.045!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc=-0.00116 USER MOD Single : A 55 SER OG : rot -81:sc= 0.0956 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 150:sc= -0.606 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.0146 K(o=-0.015,f=-1.5) USER MOD Single : A 92 ASN : amide:sc= -2.05 K(o=-2,f=-3.8!) USER MOD Single : A 93 GLN : amide:sc= -0.0416 X(o=-0.042,f=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 50 24.393 -6.515 -0.188 1.00 0.00 N ATOM 2 CA GLY A 50 23.733 -6.082 1.030 1.00 0.00 C ATOM 3 C GLY A 50 22.300 -6.568 1.117 1.00 0.00 C ATOM 4 O GLY A 50 21.379 -5.775 1.311 1.00 0.00 O ATOM 0 HA2 GLY A 50 24.291 -6.449 1.892 1.00 0.00 H new ATOM 0 HA3 GLY A 50 23.748 -4.993 1.080 1.00 0.00 H new ATOM 8 N SER A 51 22.111 -7.876 0.972 1.00 0.00 N ATOM 9 CA SER A 51 20.779 -8.466 1.030 1.00 0.00 C ATOM 10 C SER A 51 19.819 -7.734 0.097 1.00 0.00 C ATOM 11 O SER A 51 18.670 -7.470 0.453 1.00 0.00 O ATOM 12 CB SER A 51 20.243 -8.429 2.463 1.00 0.00 C ATOM 13 OG SER A 51 21.114 -9.109 3.350 1.00 0.00 O ATOM 0 H SER A 51 22.863 -8.547 0.814 1.00 0.00 H new ATOM 0 HA SER A 51 20.854 -9.504 0.704 1.00 0.00 H new ATOM 0 HB2 SER A 51 20.127 -7.394 2.785 1.00 0.00 H new ATOM 0 HB3 SER A 51 19.254 -8.887 2.497 1.00 0.00 H new ATOM 0 HG SER A 51 20.751 -9.070 4.259 1.00 0.00 H new ATOM 19 N SER A 52 20.298 -7.409 -1.099 1.00 0.00 N ATOM 20 CA SER A 52 19.485 -6.704 -2.083 1.00 0.00 C ATOM 21 C SER A 52 18.075 -7.284 -2.139 1.00 0.00 C ATOM 22 O SER A 52 17.878 -8.485 -1.954 1.00 0.00 O ATOM 23 CB SER A 52 20.137 -6.782 -3.465 1.00 0.00 C ATOM 24 OG SER A 52 19.671 -5.743 -4.308 1.00 0.00 O ATOM 0 H SER A 52 21.246 -7.623 -1.410 1.00 0.00 H new ATOM 0 HA SER A 52 19.417 -5.659 -1.780 1.00 0.00 H new ATOM 0 HB2 SER A 52 21.220 -6.714 -3.364 1.00 0.00 H new ATOM 0 HB3 SER A 52 19.919 -7.749 -3.919 1.00 0.00 H new ATOM 0 HG SER A 52 20.104 -5.814 -5.184 1.00 0.00 H new ATOM 30 N GLY A 53 17.096 -6.422 -2.396 1.00 0.00 N ATOM 31 CA GLY A 53 15.717 -6.866 -2.472 1.00 0.00 C ATOM 32 C GLY A 53 14.734 -5.769 -2.115 1.00 0.00 C ATOM 33 O GLY A 53 14.472 -5.519 -0.939 1.00 0.00 O ATOM 0 H GLY A 53 17.234 -5.424 -2.553 1.00 0.00 H new ATOM 0 HA2 GLY A 53 15.508 -7.222 -3.481 1.00 0.00 H new ATOM 0 HA3 GLY A 53 15.573 -7.711 -1.799 1.00 0.00 H new ATOM 37 N SER A 54 14.189 -5.111 -3.133 1.00 0.00 N ATOM 38 CA SER A 54 13.233 -4.030 -2.921 1.00 0.00 C ATOM 39 C SER A 54 11.874 -4.582 -2.503 1.00 0.00 C ATOM 40 O SER A 54 11.381 -4.289 -1.413 1.00 0.00 O ATOM 41 CB SER A 54 13.087 -3.193 -4.194 1.00 0.00 C ATOM 42 OG SER A 54 12.817 -4.015 -5.316 1.00 0.00 O ATOM 0 H SER A 54 14.393 -5.307 -4.113 1.00 0.00 H new ATOM 0 HA SER A 54 13.611 -3.396 -2.119 1.00 0.00 H new ATOM 0 HB2 SER A 54 12.282 -2.469 -4.067 1.00 0.00 H new ATOM 0 HB3 SER A 54 14.001 -2.625 -4.367 1.00 0.00 H new ATOM 0 HG SER A 54 12.726 -3.457 -6.116 1.00 0.00 H new ATOM 48 N SER A 55 11.272 -5.382 -3.377 1.00 0.00 N ATOM 49 CA SER A 55 9.968 -5.972 -3.101 1.00 0.00 C ATOM 50 C SER A 55 9.726 -7.193 -3.984 1.00 0.00 C ATOM 51 O SER A 55 9.676 -7.088 -5.209 1.00 0.00 O ATOM 52 CB SER A 55 8.860 -4.941 -3.324 1.00 0.00 C ATOM 53 OG SER A 55 7.664 -5.328 -2.670 1.00 0.00 O ATOM 0 H SER A 55 11.667 -5.636 -4.282 1.00 0.00 H new ATOM 0 HA SER A 55 9.955 -6.290 -2.058 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.183 -3.969 -2.952 1.00 0.00 H new ATOM 0 HB3 SER A 55 8.674 -4.828 -4.392 1.00 0.00 H new ATOM 0 HG SER A 55 7.188 -5.984 -3.221 1.00 0.00 H new ATOM 59 N GLY A 56 9.577 -8.353 -3.351 1.00 0.00 N ATOM 60 CA GLY A 56 9.343 -9.578 -4.093 1.00 0.00 C ATOM 61 C GLY A 56 7.898 -9.727 -4.526 1.00 0.00 C ATOM 62 O GLY A 56 7.620 -10.084 -5.670 1.00 0.00 O ATOM 0 H GLY A 56 9.614 -8.466 -2.338 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.986 -9.595 -4.973 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.624 -10.432 -3.477 1.00 0.00 H new ATOM 66 N GLU A 57 6.976 -9.454 -3.607 1.00 0.00 N ATOM 67 CA GLU A 57 5.552 -9.563 -3.900 1.00 0.00 C ATOM 68 C GLU A 57 4.906 -8.183 -3.979 1.00 0.00 C ATOM 69 O GLU A 57 5.336 -7.230 -3.328 1.00 0.00 O ATOM 70 CB GLU A 57 4.851 -10.405 -2.832 1.00 0.00 C ATOM 71 CG GLU A 57 5.300 -11.857 -2.810 1.00 0.00 C ATOM 72 CD GLU A 57 4.927 -12.563 -1.521 1.00 0.00 C ATOM 73 OE1 GLU A 57 3.760 -12.441 -1.093 1.00 0.00 O ATOM 74 OE2 GLU A 57 5.802 -13.240 -0.941 1.00 0.00 O ATOM 0 H GLU A 57 7.190 -9.156 -2.655 1.00 0.00 H new ATOM 0 HA GLU A 57 5.443 -10.053 -4.868 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.035 -9.962 -1.853 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.775 -10.369 -3.001 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.852 -12.385 -3.652 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.381 -11.901 -2.945 1.00 0.00 H new ATOM 81 N PRO A 58 3.849 -8.071 -4.797 1.00 0.00 N ATOM 82 CA PRO A 58 3.121 -6.812 -4.982 1.00 0.00 C ATOM 83 C PRO A 58 2.328 -6.413 -3.742 1.00 0.00 C ATOM 84 O PRO A 58 2.030 -7.249 -2.888 1.00 0.00 O ATOM 85 CB PRO A 58 2.175 -7.116 -6.146 1.00 0.00 C ATOM 86 CG PRO A 58 1.983 -8.593 -6.102 1.00 0.00 C ATOM 87 CD PRO A 58 3.282 -9.164 -5.604 1.00 0.00 C ATOM 0 HA PRO A 58 3.795 -5.976 -5.170 1.00 0.00 H new ATOM 0 HB2 PRO A 58 1.227 -6.590 -6.033 1.00 0.00 H new ATOM 0 HB3 PRO A 58 2.604 -6.801 -7.097 1.00 0.00 H new ATOM 0 HG2 PRO A 58 1.160 -8.860 -5.439 1.00 0.00 H new ATOM 0 HG3 PRO A 58 1.738 -8.984 -7.089 1.00 0.00 H new ATOM 0 HD2 PRO A 58 3.123 -10.063 -5.008 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.941 -9.439 -6.427 1.00 0.00 H new ATOM 95 N VAL A 59 1.988 -5.132 -3.649 1.00 0.00 N ATOM 96 CA VAL A 59 1.227 -4.623 -2.513 1.00 0.00 C ATOM 97 C VAL A 59 -0.270 -4.811 -2.726 1.00 0.00 C ATOM 98 O VAL A 59 -0.914 -4.023 -3.419 1.00 0.00 O ATOM 99 CB VAL A 59 1.516 -3.130 -2.268 1.00 0.00 C ATOM 100 CG1 VAL A 59 0.687 -2.609 -1.104 1.00 0.00 C ATOM 101 CG2 VAL A 59 3.000 -2.909 -2.018 1.00 0.00 C ATOM 0 H VAL A 59 2.227 -4.427 -4.346 1.00 0.00 H new ATOM 0 HA VAL A 59 1.541 -5.195 -1.640 1.00 0.00 H new ATOM 0 HB VAL A 59 1.234 -2.572 -3.161 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.905 -1.553 -0.946 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.373 -2.731 -1.328 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.934 -3.169 -0.202 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.186 -1.849 -1.847 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.310 -3.478 -1.141 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.569 -3.242 -2.886 1.00 0.00 H new ATOM 111 N LEU A 60 -0.820 -5.861 -2.125 1.00 0.00 N ATOM 112 CA LEU A 60 -2.244 -6.154 -2.247 1.00 0.00 C ATOM 113 C LEU A 60 -3.029 -5.529 -1.099 1.00 0.00 C ATOM 114 O LEU A 60 -2.463 -5.183 -0.061 1.00 0.00 O ATOM 115 CB LEU A 60 -2.473 -7.666 -2.274 1.00 0.00 C ATOM 116 CG LEU A 60 -1.742 -8.437 -3.374 1.00 0.00 C ATOM 117 CD1 LEU A 60 -1.866 -9.935 -3.148 1.00 0.00 C ATOM 118 CD2 LEU A 60 -2.286 -8.056 -4.743 1.00 0.00 C ATOM 0 H LEU A 60 -0.301 -6.523 -1.548 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.600 -5.722 -3.183 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.172 -8.076 -1.310 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.542 -7.849 -2.379 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.686 -8.171 -3.337 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.340 -10.467 -3.940 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.429 -10.195 -2.184 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.918 -10.218 -3.157 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.755 -8.614 -5.514 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.349 -8.293 -4.791 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.145 -6.988 -4.906 1.00 0.00 H new ATOM 130 N CYS A 61 -4.337 -5.388 -1.291 1.00 0.00 N ATOM 131 CA CYS A 61 -5.201 -4.807 -0.271 1.00 0.00 C ATOM 132 C CYS A 61 -5.313 -5.731 0.939 1.00 0.00 C ATOM 133 O CYS A 61 -5.133 -6.943 0.826 1.00 0.00 O ATOM 134 CB CYS A 61 -6.592 -4.533 -0.848 1.00 0.00 C ATOM 135 SG CYS A 61 -7.632 -3.463 0.197 1.00 0.00 S ATOM 0 H CYS A 61 -4.821 -5.668 -2.144 1.00 0.00 H new ATOM 0 HA CYS A 61 -4.757 -3.866 0.053 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -6.482 -4.069 -1.828 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -7.104 -5.483 -1.000 1.00 0.00 H new ATOM 140 N SER A 62 -5.612 -5.148 2.095 1.00 0.00 N ATOM 141 CA SER A 62 -5.745 -5.918 3.327 1.00 0.00 C ATOM 142 C SER A 62 -6.989 -6.799 3.285 1.00 0.00 C ATOM 143 O SER A 62 -6.912 -8.012 3.485 1.00 0.00 O ATOM 144 CB SER A 62 -5.811 -4.980 4.534 1.00 0.00 C ATOM 145 OG SER A 62 -6.136 -5.692 5.715 1.00 0.00 O ATOM 0 H SER A 62 -5.767 -4.146 2.205 1.00 0.00 H new ATOM 0 HA SER A 62 -4.869 -6.560 3.422 1.00 0.00 H new ATOM 0 HB2 SER A 62 -4.852 -4.477 4.661 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.556 -4.205 4.356 1.00 0.00 H new ATOM 0 HG SER A 62 -6.171 -5.071 6.472 1.00 0.00 H new ATOM 151 N ARG A 63 -8.137 -6.181 3.024 1.00 0.00 N ATOM 152 CA ARG A 63 -9.398 -6.908 2.957 1.00 0.00 C ATOM 153 C ARG A 63 -9.261 -8.156 2.090 1.00 0.00 C ATOM 154 O ARG A 63 -9.126 -8.066 0.870 1.00 0.00 O ATOM 155 CB ARG A 63 -10.502 -6.006 2.401 1.00 0.00 C ATOM 156 CG ARG A 63 -11.905 -6.474 2.752 1.00 0.00 C ATOM 157 CD ARG A 63 -12.959 -5.715 1.962 1.00 0.00 C ATOM 158 NE ARG A 63 -14.294 -5.881 2.531 1.00 0.00 N ATOM 159 CZ ARG A 63 -14.768 -5.138 3.525 1.00 0.00 C ATOM 160 NH1 ARG A 63 -14.019 -4.182 4.057 1.00 0.00 N ATOM 161 NH2 ARG A 63 -15.993 -5.350 3.988 1.00 0.00 N ATOM 0 H ARG A 63 -8.219 -5.178 2.856 1.00 0.00 H new ATOM 0 HA ARG A 63 -9.665 -7.217 3.968 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -10.360 -4.995 2.782 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -10.406 -5.955 1.316 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -11.995 -7.541 2.549 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -12.079 -6.336 3.819 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -12.703 -4.656 1.941 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -12.959 -6.064 0.929 1.00 0.00 H new ATOM 0 HE ARG A 63 -14.896 -6.608 2.144 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -13.077 -4.016 3.703 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -14.385 -3.613 4.820 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -16.572 -6.084 3.581 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -16.356 -4.779 4.751 1.00 0.00 H new ATOM 175 N THR A 64 -9.297 -9.321 2.730 1.00 0.00 N ATOM 176 CA THR A 64 -9.175 -10.587 2.018 1.00 0.00 C ATOM 177 C THR A 64 -10.049 -10.603 0.769 1.00 0.00 C ATOM 178 O THR A 64 -9.607 -11.007 -0.307 1.00 0.00 O ATOM 179 CB THR A 64 -9.563 -11.777 2.917 1.00 0.00 C ATOM 180 OG1 THR A 64 -10.843 -11.541 3.516 1.00 0.00 O ATOM 181 CG2 THR A 64 -8.522 -11.996 4.004 1.00 0.00 C ATOM 0 H THR A 64 -9.410 -9.414 3.740 1.00 0.00 H new ATOM 0 HA THR A 64 -8.129 -10.686 1.727 1.00 0.00 H new ATOM 0 HB THR A 64 -9.611 -12.672 2.297 1.00 0.00 H new ATOM 0 HG1 THR A 64 -11.084 -12.302 4.084 1.00 0.00 H new ATOM 0 HG21 THR A 64 -8.818 -12.841 4.626 1.00 0.00 H new ATOM 0 HG22 THR A 64 -7.555 -12.204 3.545 1.00 0.00 H new ATOM 0 HG23 THR A 64 -8.446 -11.101 4.621 1.00 0.00 H new ATOM 189 N THR A 65 -11.293 -10.158 0.918 1.00 0.00 N ATOM 190 CA THR A 65 -12.230 -10.121 -0.198 1.00 0.00 C ATOM 191 C THR A 65 -11.743 -9.179 -1.294 1.00 0.00 C ATOM 192 O THR A 65 -11.822 -9.497 -2.481 1.00 0.00 O ATOM 193 CB THR A 65 -13.632 -9.677 0.259 1.00 0.00 C ATOM 194 OG1 THR A 65 -13.587 -8.327 0.737 1.00 0.00 O ATOM 195 CG2 THR A 65 -14.158 -10.591 1.356 1.00 0.00 C ATOM 0 H THR A 65 -11.675 -9.818 1.801 1.00 0.00 H new ATOM 0 HA THR A 65 -12.290 -11.135 -0.594 1.00 0.00 H new ATOM 0 HB THR A 65 -14.305 -9.737 -0.596 1.00 0.00 H new ATOM 0 HG1 THR A 65 -14.451 -7.893 0.574 1.00 0.00 H new ATOM 0 HG21 THR A 65 -15.149 -10.258 1.663 1.00 0.00 H new ATOM 0 HG22 THR A 65 -14.218 -11.613 0.981 1.00 0.00 H new ATOM 0 HG23 THR A 65 -13.483 -10.558 2.212 1.00 0.00 H new ATOM 203 N CYS A 66 -11.239 -8.019 -0.888 1.00 0.00 N ATOM 204 CA CYS A 66 -10.738 -7.030 -1.835 1.00 0.00 C ATOM 205 C CYS A 66 -9.430 -7.496 -2.469 1.00 0.00 C ATOM 206 O CYS A 66 -9.371 -7.766 -3.668 1.00 0.00 O ATOM 207 CB CYS A 66 -10.528 -5.685 -1.137 1.00 0.00 C ATOM 208 SG CYS A 66 -10.364 -4.273 -2.276 1.00 0.00 S ATOM 0 H CYS A 66 -11.167 -7.740 0.091 1.00 0.00 H new ATOM 0 HA CYS A 66 -11.481 -6.911 -2.624 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -11.367 -5.501 -0.466 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -9.633 -5.745 -0.518 1.00 0.00 H new ATOM 213 N ARG A 67 -8.385 -7.589 -1.654 1.00 0.00 N ATOM 214 CA ARG A 67 -7.078 -8.021 -2.134 1.00 0.00 C ATOM 215 C ARG A 67 -6.772 -7.415 -3.500 1.00 0.00 C ATOM 216 O ARG A 67 -6.225 -8.081 -4.378 1.00 0.00 O ATOM 217 CB ARG A 67 -7.021 -9.548 -2.218 1.00 0.00 C ATOM 218 CG ARG A 67 -6.987 -10.231 -0.861 1.00 0.00 C ATOM 219 CD ARG A 67 -5.634 -10.066 -0.187 1.00 0.00 C ATOM 220 NE ARG A 67 -5.505 -10.910 0.998 1.00 0.00 N ATOM 221 CZ ARG A 67 -4.614 -10.695 1.960 1.00 0.00 C ATOM 222 NH1 ARG A 67 -3.779 -9.669 1.877 1.00 0.00 N ATOM 223 NH2 ARG A 67 -4.559 -11.507 3.007 1.00 0.00 N ATOM 0 H ARG A 67 -8.418 -7.371 -0.658 1.00 0.00 H new ATOM 0 HA ARG A 67 -6.326 -7.674 -1.425 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -7.888 -9.906 -2.774 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -6.137 -9.840 -2.785 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -7.766 -9.813 -0.223 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -7.208 -11.292 -0.981 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -4.844 -10.313 -0.896 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -5.494 -9.022 0.095 1.00 0.00 H new ATOM 0 HE ARG A 67 -6.133 -11.708 1.092 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -3.819 -9.042 1.073 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -3.096 -9.506 2.617 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -5.201 -12.297 3.074 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -3.875 -11.342 3.745 1.00 0.00 H new ATOM 237 N ALA A 68 -7.131 -6.146 -3.672 1.00 0.00 N ATOM 238 CA ALA A 68 -6.894 -5.450 -4.931 1.00 0.00 C ATOM 239 C ALA A 68 -5.494 -4.846 -4.969 1.00 0.00 C ATOM 240 O ALA A 68 -5.022 -4.286 -3.980 1.00 0.00 O ATOM 241 CB ALA A 68 -7.943 -4.368 -5.140 1.00 0.00 C ATOM 0 H ALA A 68 -7.586 -5.580 -2.956 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.970 -6.177 -5.740 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.755 -3.856 -6.084 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.934 -4.822 -5.165 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -7.893 -3.650 -4.321 1.00 0.00 H new ATOM 247 N ALA A 69 -4.835 -4.966 -6.117 1.00 0.00 N ATOM 248 CA ALA A 69 -3.489 -4.431 -6.284 1.00 0.00 C ATOM 249 C ALA A 69 -3.435 -2.953 -5.910 1.00 0.00 C ATOM 250 O ALA A 69 -4.466 -2.329 -5.655 1.00 0.00 O ATOM 251 CB ALA A 69 -3.015 -4.633 -7.715 1.00 0.00 C ATOM 0 H ALA A 69 -5.211 -5.429 -6.945 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.823 -4.973 -5.612 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.009 -4.229 -7.825 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.006 -5.698 -7.948 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.690 -4.117 -8.398 1.00 0.00 H new ATOM 257 N LEU A 70 -2.228 -2.400 -5.879 1.00 0.00 N ATOM 258 CA LEU A 70 -2.040 -0.994 -5.536 1.00 0.00 C ATOM 259 C LEU A 70 -2.125 -0.114 -6.778 1.00 0.00 C ATOM 260 O LEU A 70 -1.302 -0.225 -7.687 1.00 0.00 O ATOM 261 CB LEU A 70 -0.689 -0.794 -4.846 1.00 0.00 C ATOM 262 CG LEU A 70 -0.429 0.598 -4.269 1.00 0.00 C ATOM 263 CD1 LEU A 70 -1.385 0.887 -3.122 1.00 0.00 C ATOM 264 CD2 LEU A 70 1.015 0.723 -3.807 1.00 0.00 C ATOM 0 H LEU A 70 -1.365 -2.903 -6.087 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.837 -0.702 -4.852 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.605 -1.521 -4.039 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.100 -1.021 -5.563 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.603 1.334 -5.054 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.185 1.882 -2.724 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.412 0.840 -3.484 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.244 0.146 -2.335 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.182 1.720 -3.399 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.217 -0.022 -3.037 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.683 0.561 -4.653 1.00 0.00 H new ATOM 276 N ASN A 71 -3.124 0.762 -6.810 1.00 0.00 N ATOM 277 CA ASN A 71 -3.316 1.663 -7.940 1.00 0.00 C ATOM 278 C ASN A 71 -3.151 3.117 -7.510 1.00 0.00 C ATOM 279 O ASN A 71 -3.303 3.465 -6.339 1.00 0.00 O ATOM 280 CB ASN A 71 -4.701 1.455 -8.556 1.00 0.00 C ATOM 281 CG ASN A 71 -5.780 1.278 -7.505 1.00 0.00 C ATOM 282 OD1 ASN A 71 -6.350 2.252 -7.014 1.00 0.00 O ATOM 283 ND2 ASN A 71 -6.066 0.029 -7.155 1.00 0.00 N ATOM 0 H ASN A 71 -3.813 0.867 -6.066 1.00 0.00 H new ATOM 0 HA ASN A 71 -2.556 1.435 -8.687 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.948 2.310 -9.186 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -4.680 0.578 -9.203 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -6.783 -0.152 -6.453 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.568 -0.749 -7.588 1.00 0.00 H new ATOM 290 N PRO A 72 -2.834 3.988 -8.480 1.00 0.00 N ATOM 291 CA PRO A 72 -2.643 5.420 -8.227 1.00 0.00 C ATOM 292 C PRO A 72 -3.949 6.127 -7.884 1.00 0.00 C ATOM 293 O PRO A 72 -3.947 7.275 -7.438 1.00 0.00 O ATOM 294 CB PRO A 72 -2.083 5.943 -9.552 1.00 0.00 C ATOM 295 CG PRO A 72 -2.580 4.983 -10.578 1.00 0.00 C ATOM 296 CD PRO A 72 -2.637 3.643 -9.898 1.00 0.00 C ATOM 0 HA PRO A 72 -1.990 5.599 -7.373 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -2.430 6.956 -9.756 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -0.994 5.977 -9.536 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -3.564 5.277 -10.944 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.915 4.955 -11.441 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -3.455 3.033 -10.280 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -1.719 3.076 -10.050 1.00 0.00 H new ATOM 304 N LEU A 73 -5.064 5.435 -8.094 1.00 0.00 N ATOM 305 CA LEU A 73 -6.379 5.998 -7.806 1.00 0.00 C ATOM 306 C LEU A 73 -6.628 6.059 -6.303 1.00 0.00 C ATOM 307 O LEU A 73 -7.110 7.067 -5.784 1.00 0.00 O ATOM 308 CB LEU A 73 -7.470 5.165 -8.482 1.00 0.00 C ATOM 309 CG LEU A 73 -7.706 5.445 -9.966 1.00 0.00 C ATOM 310 CD1 LEU A 73 -6.571 4.878 -10.804 1.00 0.00 C ATOM 311 CD2 LEU A 73 -9.041 4.867 -10.413 1.00 0.00 C ATOM 0 H LEU A 73 -5.084 4.484 -8.462 1.00 0.00 H new ATOM 0 HA LEU A 73 -6.407 7.013 -8.201 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.217 4.111 -8.367 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.407 5.328 -7.949 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.733 6.525 -10.111 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -6.757 5.087 -11.857 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.631 5.340 -10.503 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -6.511 3.800 -10.653 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -9.192 5.076 -11.472 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -9.043 3.789 -10.252 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -9.846 5.321 -9.835 1.00 0.00 H new ATOM 323 N CYS A 74 -6.295 4.977 -5.609 1.00 0.00 N ATOM 324 CA CYS A 74 -6.481 4.908 -4.163 1.00 0.00 C ATOM 325 C CYS A 74 -5.928 6.156 -3.484 1.00 0.00 C ATOM 326 O CYS A 74 -4.822 6.602 -3.789 1.00 0.00 O ATOM 327 CB CYS A 74 -5.798 3.661 -3.599 1.00 0.00 C ATOM 328 SG CYS A 74 -6.588 2.106 -4.078 1.00 0.00 S ATOM 0 H CYS A 74 -5.895 4.135 -6.023 1.00 0.00 H new ATOM 0 HA CYS A 74 -7.551 4.850 -3.961 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -4.760 3.646 -3.932 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -5.783 3.729 -2.511 1.00 0.00 H new ATOM 0 HG CYS A 74 -6.521 1.965 -5.369 1.00 0.00 H new ATOM 334 N GLN A 75 -6.707 6.717 -2.564 1.00 0.00 N ATOM 335 CA GLN A 75 -6.295 7.916 -1.843 1.00 0.00 C ATOM 336 C GLN A 75 -5.105 7.624 -0.936 1.00 0.00 C ATOM 337 O GLN A 75 -5.272 7.288 0.236 1.00 0.00 O ATOM 338 CB GLN A 75 -7.460 8.464 -1.017 1.00 0.00 C ATOM 339 CG GLN A 75 -7.425 9.974 -0.844 1.00 0.00 C ATOM 340 CD GLN A 75 -6.659 10.403 0.392 1.00 0.00 C ATOM 341 OE1 GLN A 75 -7.068 10.121 1.519 1.00 0.00 O ATOM 342 NE2 GLN A 75 -5.540 11.088 0.187 1.00 0.00 N ATOM 0 H GLN A 75 -7.626 6.361 -2.301 1.00 0.00 H new ATOM 0 HA GLN A 75 -5.994 8.665 -2.575 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -8.398 8.183 -1.496 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -7.451 7.994 -0.034 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -6.969 10.426 -1.725 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -8.445 10.353 -0.784 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -5.238 11.299 -0.764 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -4.982 11.403 0.981 1.00 0.00 H new ATOM 351 N VAL A 76 -3.902 7.755 -1.486 1.00 0.00 N ATOM 352 CA VAL A 76 -2.683 7.506 -0.726 1.00 0.00 C ATOM 353 C VAL A 76 -2.301 8.720 0.113 1.00 0.00 C ATOM 354 O VAL A 76 -2.228 9.839 -0.393 1.00 0.00 O ATOM 355 CB VAL A 76 -1.507 7.146 -1.654 1.00 0.00 C ATOM 356 CG1 VAL A 76 -0.233 6.946 -0.847 1.00 0.00 C ATOM 357 CG2 VAL A 76 -1.832 5.905 -2.470 1.00 0.00 C ATOM 0 H VAL A 76 -3.746 8.032 -2.455 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.887 6.662 -0.067 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.345 7.973 -2.345 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.587 6.692 -1.519 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.007 7.865 -0.312 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.379 6.137 -0.131 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.990 5.666 -3.120 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.022 5.067 -1.799 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.718 6.091 -3.078 1.00 0.00 H new ATOM 367 N ASP A 77 -2.059 8.490 1.399 1.00 0.00 N ATOM 368 CA ASP A 77 -1.683 9.565 2.310 1.00 0.00 C ATOM 369 C ASP A 77 -0.253 9.379 2.809 1.00 0.00 C ATOM 370 O ASP A 77 -0.029 9.057 3.977 1.00 0.00 O ATOM 371 CB ASP A 77 -2.647 9.618 3.496 1.00 0.00 C ATOM 372 CG ASP A 77 -2.806 11.020 4.051 1.00 0.00 C ATOM 373 OD1 ASP A 77 -1.775 11.671 4.320 1.00 0.00 O ATOM 374 OD2 ASP A 77 -3.961 11.466 4.216 1.00 0.00 O ATOM 0 H ASP A 77 -2.116 7.569 1.834 1.00 0.00 H new ATOM 0 HA ASP A 77 -1.739 10.507 1.764 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -3.621 9.241 3.186 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -2.286 8.957 4.284 1.00 0.00 H new ATOM 379 N TYR A 78 0.710 9.582 1.918 1.00 0.00 N ATOM 380 CA TYR A 78 2.118 9.433 2.267 1.00 0.00 C ATOM 381 C TYR A 78 2.435 10.155 3.573 1.00 0.00 C ATOM 382 O TYR A 78 3.194 9.655 4.404 1.00 0.00 O ATOM 383 CB TYR A 78 3.004 9.976 1.144 1.00 0.00 C ATOM 384 CG TYR A 78 2.599 9.496 -0.232 1.00 0.00 C ATOM 385 CD1 TYR A 78 2.740 8.162 -0.594 1.00 0.00 C ATOM 386 CD2 TYR A 78 2.073 10.377 -1.169 1.00 0.00 C ATOM 387 CE1 TYR A 78 2.372 7.720 -1.850 1.00 0.00 C ATOM 388 CE2 TYR A 78 1.701 9.943 -2.427 1.00 0.00 C ATOM 389 CZ TYR A 78 1.853 8.614 -2.763 1.00 0.00 C ATOM 390 OH TYR A 78 1.484 8.177 -4.014 1.00 0.00 O ATOM 0 H TYR A 78 0.542 9.850 0.948 1.00 0.00 H new ATOM 0 HA TYR A 78 2.322 8.371 2.401 1.00 0.00 H new ATOM 0 HB2 TYR A 78 2.974 11.065 1.163 1.00 0.00 H new ATOM 0 HB3 TYR A 78 4.037 9.682 1.333 1.00 0.00 H new ATOM 0 HD1 TYR A 78 3.144 7.459 0.119 1.00 0.00 H new ATOM 0 HD2 TYR A 78 1.953 11.418 -0.910 1.00 0.00 H new ATOM 0 HE1 TYR A 78 2.490 6.680 -2.116 1.00 0.00 H new ATOM 0 HE2 TYR A 78 1.293 10.641 -3.143 1.00 0.00 H new ATOM 0 HH TYR A 78 1.136 8.931 -4.535 1.00 0.00 H new ATOM 400 N ARG A 79 1.848 11.335 3.747 1.00 0.00 N ATOM 401 CA ARG A 79 2.067 12.127 4.951 1.00 0.00 C ATOM 402 C ARG A 79 1.828 11.289 6.204 1.00 0.00 C ATOM 403 O ARG A 79 2.673 11.235 7.097 1.00 0.00 O ATOM 404 CB ARG A 79 1.145 13.348 4.958 1.00 0.00 C ATOM 405 CG ARG A 79 1.477 14.367 3.880 1.00 0.00 C ATOM 406 CD ARG A 79 2.695 15.198 4.253 1.00 0.00 C ATOM 407 NE ARG A 79 2.367 16.248 5.214 1.00 0.00 N ATOM 408 CZ ARG A 79 3.257 16.797 6.033 1.00 0.00 C ATOM 409 NH1 ARG A 79 4.521 16.399 6.008 1.00 0.00 N ATOM 410 NH2 ARG A 79 2.882 17.748 6.880 1.00 0.00 N ATOM 0 H ARG A 79 1.217 11.763 3.069 1.00 0.00 H new ATOM 0 HA ARG A 79 3.104 12.463 4.951 1.00 0.00 H new ATOM 0 HB2 ARG A 79 0.115 13.016 4.828 1.00 0.00 H new ATOM 0 HB3 ARG A 79 1.203 13.831 5.933 1.00 0.00 H new ATOM 0 HG2 ARG A 79 1.661 13.853 2.937 1.00 0.00 H new ATOM 0 HG3 ARG A 79 0.621 15.024 3.723 1.00 0.00 H new ATOM 0 HD2 ARG A 79 3.462 14.548 4.674 1.00 0.00 H new ATOM 0 HD3 ARG A 79 3.116 15.648 3.354 1.00 0.00 H new ATOM 0 HE ARG A 79 1.403 16.577 5.259 1.00 0.00 H new ATOM 0 HH11 ARG A 79 4.813 15.669 5.358 1.00 0.00 H new ATOM 0 HH12 ARG A 79 5.202 16.823 6.638 1.00 0.00 H new ATOM 0 HH21 ARG A 79 1.910 18.057 6.902 1.00 0.00 H new ATOM 0 HH22 ARG A 79 3.566 18.169 7.509 1.00 0.00 H new ATOM 424 N ALA A 80 0.670 10.639 6.263 1.00 0.00 N ATOM 425 CA ALA A 80 0.321 9.803 7.405 1.00 0.00 C ATOM 426 C ALA A 80 0.562 8.329 7.100 1.00 0.00 C ATOM 427 O ALA A 80 -0.085 7.452 7.673 1.00 0.00 O ATOM 428 CB ALA A 80 -1.130 10.032 7.802 1.00 0.00 C ATOM 0 H ALA A 80 -0.042 10.675 5.533 1.00 0.00 H new ATOM 0 HA ALA A 80 0.963 10.084 8.240 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -1.377 9.401 8.656 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -1.273 11.079 8.070 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -1.780 9.780 6.964 1.00 0.00 H new ATOM 434 N LYS A 81 1.497 8.061 6.195 1.00 0.00 N ATOM 435 CA LYS A 81 1.824 6.693 5.813 1.00 0.00 C ATOM 436 C LYS A 81 0.583 5.807 5.846 1.00 0.00 C ATOM 437 O LYS A 81 0.595 4.726 6.436 1.00 0.00 O ATOM 438 CB LYS A 81 2.895 6.124 6.748 1.00 0.00 C ATOM 439 CG LYS A 81 4.295 6.629 6.447 1.00 0.00 C ATOM 440 CD LYS A 81 4.600 7.911 7.203 1.00 0.00 C ATOM 441 CE LYS A 81 5.938 8.501 6.785 1.00 0.00 C ATOM 442 NZ LYS A 81 7.081 7.792 7.424 1.00 0.00 N ATOM 0 H LYS A 81 2.042 8.775 5.712 1.00 0.00 H new ATOM 0 HA LYS A 81 2.210 6.709 4.794 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.639 6.378 7.777 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.887 5.036 6.677 1.00 0.00 H new ATOM 0 HG2 LYS A 81 5.024 5.865 6.716 1.00 0.00 H new ATOM 0 HG3 LYS A 81 4.397 6.804 5.376 1.00 0.00 H new ATOM 0 HD2 LYS A 81 3.808 8.638 7.022 1.00 0.00 H new ATOM 0 HD3 LYS A 81 4.609 7.709 8.274 1.00 0.00 H new ATOM 0 HE2 LYS A 81 6.037 8.445 5.701 1.00 0.00 H new ATOM 0 HE3 LYS A 81 5.969 9.557 7.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 7.975 8.224 7.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 7.001 7.866 8.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 7.066 6.790 7.147 1.00 0.00 H new ATOM 456 N LEU A 82 -0.486 6.270 5.208 1.00 0.00 N ATOM 457 CA LEU A 82 -1.735 5.519 5.163 1.00 0.00 C ATOM 458 C LEU A 82 -2.434 5.705 3.820 1.00 0.00 C ATOM 459 O LEU A 82 -2.719 6.830 3.408 1.00 0.00 O ATOM 460 CB LEU A 82 -2.661 5.961 6.298 1.00 0.00 C ATOM 461 CG LEU A 82 -2.334 5.405 7.684 1.00 0.00 C ATOM 462 CD1 LEU A 82 -3.156 6.113 8.750 1.00 0.00 C ATOM 463 CD2 LEU A 82 -2.580 3.904 7.729 1.00 0.00 C ATOM 0 H LEU A 82 -0.513 7.162 4.715 1.00 0.00 H new ATOM 0 HA LEU A 82 -1.499 4.462 5.286 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -2.644 7.050 6.352 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.680 5.671 6.043 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.279 5.586 7.887 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.910 5.704 9.730 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.931 7.179 8.735 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.217 5.963 8.550 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.342 3.526 8.723 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.627 3.700 7.504 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -1.948 3.409 6.992 1.00 0.00 H new ATOM 475 N TRP A 83 -2.710 4.596 3.143 1.00 0.00 N ATOM 476 CA TRP A 83 -3.378 4.637 1.847 1.00 0.00 C ATOM 477 C TRP A 83 -4.755 3.987 1.924 1.00 0.00 C ATOM 478 O TRP A 83 -4.892 2.857 2.390 1.00 0.00 O ATOM 479 CB TRP A 83 -2.526 3.934 0.789 1.00 0.00 C ATOM 480 CG TRP A 83 -2.312 2.478 1.070 1.00 0.00 C ATOM 481 CD1 TRP A 83 -1.453 1.937 1.984 1.00 0.00 C ATOM 482 CD2 TRP A 83 -2.968 1.376 0.432 1.00 0.00 C ATOM 483 NE1 TRP A 83 -1.535 0.566 1.952 1.00 0.00 N ATOM 484 CE2 TRP A 83 -2.458 0.197 1.009 1.00 0.00 C ATOM 485 CE3 TRP A 83 -3.938 1.271 -0.568 1.00 0.00 C ATOM 486 CZ2 TRP A 83 -2.885 -1.069 0.616 1.00 0.00 C ATOM 487 CZ3 TRP A 83 -4.360 0.015 -0.957 1.00 0.00 C ATOM 488 CH2 TRP A 83 -3.835 -1.142 -0.366 1.00 0.00 C ATOM 0 H TRP A 83 -2.482 3.657 3.470 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.506 5.682 1.564 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.005 4.042 -0.184 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -1.558 4.430 0.724 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -0.805 2.504 2.636 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -0.996 -0.074 2.536 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -4.350 2.156 -1.029 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -2.481 -1.961 1.070 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -5.108 -0.077 -1.731 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -4.187 -2.110 -0.692 1.00 0.00 H new ATOM 499 N ALA A 84 -5.772 4.709 1.464 1.00 0.00 N ATOM 500 CA ALA A 84 -7.138 4.200 1.479 1.00 0.00 C ATOM 501 C ALA A 84 -7.516 3.604 0.127 1.00 0.00 C ATOM 502 O ALA A 84 -7.236 4.186 -0.920 1.00 0.00 O ATOM 503 CB ALA A 84 -8.109 5.308 1.859 1.00 0.00 C ATOM 0 H ALA A 84 -5.676 5.648 1.077 1.00 0.00 H new ATOM 0 HA ALA A 84 -7.197 3.408 2.225 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.125 4.914 1.866 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -7.859 5.687 2.850 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -8.039 6.118 1.133 1.00 0.00 H new ATOM 509 N CYS A 85 -8.154 2.438 0.158 1.00 0.00 N ATOM 510 CA CYS A 85 -8.570 1.761 -1.064 1.00 0.00 C ATOM 511 C CYS A 85 -9.648 2.562 -1.789 1.00 0.00 C ATOM 512 O CYS A 85 -10.385 3.329 -1.173 1.00 0.00 O ATOM 513 CB CYS A 85 -9.090 0.358 -0.743 1.00 0.00 C ATOM 514 SG CYS A 85 -9.073 -0.783 -2.163 1.00 0.00 S ATOM 0 H CYS A 85 -8.394 1.943 1.017 1.00 0.00 H new ATOM 0 HA CYS A 85 -7.702 1.678 -1.718 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -8.486 -0.067 0.059 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -10.110 0.437 -0.366 1.00 0.00 H new ATOM 519 N ASN A 86 -9.732 2.375 -3.102 1.00 0.00 N ATOM 520 CA ASN A 86 -10.720 3.080 -3.912 1.00 0.00 C ATOM 521 C ASN A 86 -11.998 2.258 -4.048 1.00 0.00 C ATOM 522 O ASN A 86 -13.062 2.793 -4.363 1.00 0.00 O ATOM 523 CB ASN A 86 -10.148 3.387 -5.298 1.00 0.00 C ATOM 524 CG ASN A 86 -10.256 2.206 -6.243 1.00 0.00 C ATOM 525 OD1 ASN A 86 -11.348 1.849 -6.686 1.00 0.00 O ATOM 526 ND2 ASN A 86 -9.120 1.593 -6.556 1.00 0.00 N ATOM 0 H ASN A 86 -9.129 1.742 -3.628 1.00 0.00 H new ATOM 0 HA ASN A 86 -10.963 4.017 -3.411 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -10.676 4.240 -5.725 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -9.102 3.676 -5.200 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -9.130 0.792 -7.187 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -8.238 1.923 -6.165 1.00 0.00 H new ATOM 533 N PHE A 87 -11.886 0.956 -3.808 1.00 0.00 N ATOM 534 CA PHE A 87 -13.032 0.060 -3.904 1.00 0.00 C ATOM 535 C PHE A 87 -13.630 -0.208 -2.526 1.00 0.00 C ATOM 536 O PHE A 87 -14.684 0.326 -2.179 1.00 0.00 O ATOM 537 CB PHE A 87 -12.621 -1.260 -4.560 1.00 0.00 C ATOM 538 CG PHE A 87 -12.219 -1.115 -5.999 1.00 0.00 C ATOM 539 CD1 PHE A 87 -13.157 -0.784 -6.964 1.00 0.00 C ATOM 540 CD2 PHE A 87 -10.904 -1.309 -6.388 1.00 0.00 C ATOM 541 CE1 PHE A 87 -12.790 -0.650 -8.290 1.00 0.00 C ATOM 542 CE2 PHE A 87 -10.530 -1.176 -7.712 1.00 0.00 C ATOM 543 CZ PHE A 87 -11.474 -0.845 -8.664 1.00 0.00 C ATOM 0 H PHE A 87 -11.013 0.498 -3.546 1.00 0.00 H new ATOM 0 HA PHE A 87 -13.789 0.544 -4.521 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -11.791 -1.691 -4.001 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -13.450 -1.964 -4.492 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -14.186 -0.629 -6.677 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -10.161 -1.567 -5.648 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -13.531 -0.393 -9.033 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -9.501 -1.331 -8.002 1.00 0.00 H new ATOM 0 HZ PHE A 87 -11.184 -0.739 -9.699 1.00 0.00 H new ATOM 553 N CYS A 88 -12.950 -1.040 -1.744 1.00 0.00 N ATOM 554 CA CYS A 88 -13.412 -1.381 -0.404 1.00 0.00 C ATOM 555 C CYS A 88 -13.368 -0.163 0.513 1.00 0.00 C ATOM 556 O CYS A 88 -14.085 -0.098 1.511 1.00 0.00 O ATOM 557 CB CYS A 88 -12.555 -2.506 0.182 1.00 0.00 C ATOM 558 SG CYS A 88 -10.913 -1.967 0.758 1.00 0.00 S ATOM 0 H CYS A 88 -12.076 -1.491 -2.016 1.00 0.00 H new ATOM 0 HA CYS A 88 -14.445 -1.720 -0.478 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -13.090 -2.959 1.017 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -12.427 -3.282 -0.573 1.00 0.00 H new ATOM 563 N TYR A 89 -12.522 0.801 0.167 1.00 0.00 N ATOM 564 CA TYR A 89 -12.382 2.017 0.959 1.00 0.00 C ATOM 565 C TYR A 89 -11.957 1.690 2.388 1.00 0.00 C ATOM 566 O TYR A 89 -12.580 2.138 3.350 1.00 0.00 O ATOM 567 CB TYR A 89 -13.699 2.795 0.973 1.00 0.00 C ATOM 568 CG TYR A 89 -13.822 3.796 -0.153 1.00 0.00 C ATOM 569 CD1 TYR A 89 -13.034 4.940 -0.182 1.00 0.00 C ATOM 570 CD2 TYR A 89 -14.728 3.599 -1.189 1.00 0.00 C ATOM 571 CE1 TYR A 89 -13.143 5.858 -1.209 1.00 0.00 C ATOM 572 CE2 TYR A 89 -14.843 4.510 -2.220 1.00 0.00 C ATOM 573 CZ TYR A 89 -14.049 5.638 -2.226 1.00 0.00 C ATOM 574 OH TYR A 89 -14.162 6.549 -3.251 1.00 0.00 O ATOM 0 H TYR A 89 -11.922 0.764 -0.657 1.00 0.00 H new ATOM 0 HA TYR A 89 -11.608 2.633 0.500 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -14.528 2.090 0.914 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -13.792 3.318 1.925 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -12.324 5.115 0.612 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -15.353 2.718 -1.187 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -12.523 6.742 -1.216 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -15.551 4.340 -3.018 1.00 0.00 H new ATOM 0 HH TYR A 89 -14.844 6.245 -3.886 1.00 0.00 H new ATOM 584 N GLN A 90 -10.891 0.907 2.516 1.00 0.00 N ATOM 585 CA GLN A 90 -10.381 0.520 3.826 1.00 0.00 C ATOM 586 C GLN A 90 -8.978 1.075 4.050 1.00 0.00 C ATOM 587 O GLN A 90 -8.099 0.927 3.202 1.00 0.00 O ATOM 588 CB GLN A 90 -10.367 -1.003 3.962 1.00 0.00 C ATOM 589 CG GLN A 90 -9.836 -1.490 5.300 1.00 0.00 C ATOM 590 CD GLN A 90 -10.826 -1.288 6.430 1.00 0.00 C ATOM 591 OE1 GLN A 90 -12.002 -1.006 6.197 1.00 0.00 O ATOM 592 NE2 GLN A 90 -10.356 -1.432 7.663 1.00 0.00 N ATOM 0 H GLN A 90 -10.364 0.528 1.729 1.00 0.00 H new ATOM 0 HA GLN A 90 -11.043 0.939 4.584 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -11.380 -1.381 3.823 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -9.757 -1.425 3.163 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -9.588 -2.549 5.224 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -8.911 -0.962 5.533 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -9.374 -1.666 7.810 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -10.977 -1.309 8.463 1.00 0.00 H new ATOM 601 N ARG A 91 -8.777 1.715 5.198 1.00 0.00 N ATOM 602 CA ARG A 91 -7.481 2.293 5.532 1.00 0.00 C ATOM 603 C ARG A 91 -6.452 1.200 5.809 1.00 0.00 C ATOM 604 O ARG A 91 -6.510 0.526 6.836 1.00 0.00 O ATOM 605 CB ARG A 91 -7.607 3.210 6.751 1.00 0.00 C ATOM 606 CG ARG A 91 -8.470 4.436 6.503 1.00 0.00 C ATOM 607 CD ARG A 91 -7.671 5.558 5.858 1.00 0.00 C ATOM 608 NE ARG A 91 -8.296 6.862 6.061 1.00 0.00 N ATOM 609 CZ ARG A 91 -9.432 7.231 5.480 1.00 0.00 C ATOM 610 NH1 ARG A 91 -10.064 6.399 4.664 1.00 0.00 N ATOM 611 NH2 ARG A 91 -9.939 8.435 5.715 1.00 0.00 N ATOM 0 H ARG A 91 -9.494 1.846 5.911 1.00 0.00 H new ATOM 0 HA ARG A 91 -7.142 2.879 4.678 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -8.027 2.642 7.581 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -6.612 3.532 7.057 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -9.308 4.168 5.860 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -8.891 4.783 7.447 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -6.663 5.570 6.273 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -7.573 5.365 4.790 1.00 0.00 H new ATOM 0 HE ARG A 91 -7.835 7.526 6.683 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -9.678 5.473 4.481 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -10.936 6.685 4.219 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -9.456 9.078 6.342 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -10.811 8.717 5.268 1.00 0.00 H new ATOM 625 N ASN A 92 -5.513 1.032 4.884 1.00 0.00 N ATOM 626 CA ASN A 92 -4.472 0.020 5.027 1.00 0.00 C ATOM 627 C ASN A 92 -3.139 0.660 5.403 1.00 0.00 C ATOM 628 O ASN A 92 -2.823 1.763 4.959 1.00 0.00 O ATOM 629 CB ASN A 92 -4.321 -0.774 3.728 1.00 0.00 C ATOM 630 CG ASN A 92 -5.657 -1.218 3.163 1.00 0.00 C ATOM 631 OD1 ASN A 92 -6.268 -2.165 3.657 1.00 0.00 O ATOM 632 ND2 ASN A 92 -6.115 -0.534 2.121 1.00 0.00 N ATOM 0 H ASN A 92 -5.451 1.583 4.028 1.00 0.00 H new ATOM 0 HA ASN A 92 -4.768 -0.659 5.827 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -3.803 -0.162 2.990 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -3.698 -1.649 3.911 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -7.008 -0.787 1.697 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -5.574 0.244 1.744 1.00 0.00 H new ATOM 639 N GLN A 93 -2.363 -0.041 6.224 1.00 0.00 N ATOM 640 CA GLN A 93 -1.065 0.460 6.659 1.00 0.00 C ATOM 641 C GLN A 93 0.042 -0.009 5.720 1.00 0.00 C ATOM 642 O GLN A 93 0.093 -1.178 5.338 1.00 0.00 O ATOM 643 CB GLN A 93 -0.768 -0.004 8.086 1.00 0.00 C ATOM 644 CG GLN A 93 -1.752 0.530 9.116 1.00 0.00 C ATOM 645 CD GLN A 93 -1.133 0.679 10.491 1.00 0.00 C ATOM 646 OE1 GLN A 93 -1.521 -0.007 11.437 1.00 0.00 O ATOM 647 NE2 GLN A 93 -0.164 1.580 10.610 1.00 0.00 N ATOM 0 H GLN A 93 -2.610 -0.956 6.601 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.099 1.549 6.637 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -0.780 -1.094 8.115 1.00 0.00 H new ATOM 0 HB3 GLN A 93 0.239 0.311 8.360 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -2.130 1.497 8.785 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.608 -0.142 9.178 1.00 0.00 H new ATOM 0 HE21 GLN A 93 0.126 2.127 9.799 1.00 0.00 H new ATOM 0 HE22 GLN A 93 0.290 1.725 11.512 1.00 0.00 H new ATOM 656 N PHE A 94 0.926 0.912 5.350 1.00 0.00 N ATOM 657 CA PHE A 94 2.032 0.593 4.454 1.00 0.00 C ATOM 658 C PHE A 94 2.892 -0.529 5.029 1.00 0.00 C ATOM 659 O PHE A 94 2.960 -0.735 6.241 1.00 0.00 O ATOM 660 CB PHE A 94 2.891 1.835 4.209 1.00 0.00 C ATOM 661 CG PHE A 94 2.354 2.733 3.131 1.00 0.00 C ATOM 662 CD1 PHE A 94 2.694 2.525 1.804 1.00 0.00 C ATOM 663 CD2 PHE A 94 1.508 3.785 3.445 1.00 0.00 C ATOM 664 CE1 PHE A 94 2.201 3.349 0.810 1.00 0.00 C ATOM 665 CE2 PHE A 94 1.012 4.612 2.455 1.00 0.00 C ATOM 666 CZ PHE A 94 1.359 4.394 1.136 1.00 0.00 C ATOM 0 H PHE A 94 0.898 1.884 5.656 1.00 0.00 H new ATOM 0 HA PHE A 94 1.613 0.256 3.506 1.00 0.00 H new ATOM 0 HB2 PHE A 94 2.969 2.401 5.137 1.00 0.00 H new ATOM 0 HB3 PHE A 94 3.900 1.522 3.941 1.00 0.00 H new ATOM 0 HD1 PHE A 94 3.352 1.709 1.543 1.00 0.00 H new ATOM 0 HD2 PHE A 94 1.233 3.960 4.475 1.00 0.00 H new ATOM 0 HE1 PHE A 94 2.474 3.176 -0.221 1.00 0.00 H new ATOM 0 HE2 PHE A 94 0.353 5.428 2.713 1.00 0.00 H new ATOM 0 HZ PHE A 94 0.973 5.039 0.361 1.00 0.00 H new ATOM 676 N PRO A 95 3.565 -1.273 4.138 1.00 0.00 N ATOM 677 CA PRO A 95 4.433 -2.386 4.533 1.00 0.00 C ATOM 678 C PRO A 95 5.698 -1.913 5.240 1.00 0.00 C ATOM 679 O PRO A 95 6.072 -0.742 5.178 1.00 0.00 O ATOM 680 CB PRO A 95 4.783 -3.052 3.199 1.00 0.00 C ATOM 681 CG PRO A 95 4.643 -1.969 2.187 1.00 0.00 C ATOM 682 CD PRO A 95 3.531 -1.084 2.678 1.00 0.00 C ATOM 0 HA PRO A 95 3.944 -3.052 5.243 1.00 0.00 H new ATOM 0 HB2 PRO A 95 5.796 -3.454 3.211 1.00 0.00 H new ATOM 0 HB3 PRO A 95 4.112 -3.884 2.984 1.00 0.00 H new ATOM 0 HG2 PRO A 95 5.572 -1.408 2.085 1.00 0.00 H new ATOM 0 HG3 PRO A 95 4.410 -2.380 1.205 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.696 -0.042 2.404 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.569 -1.376 2.257 1.00 0.00 H new ATOM 690 N PRO A 96 6.374 -2.844 5.931 1.00 0.00 N ATOM 691 CA PRO A 96 7.608 -2.545 6.663 1.00 0.00 C ATOM 692 C PRO A 96 8.777 -2.246 5.731 1.00 0.00 C ATOM 693 O PRO A 96 9.601 -1.375 6.012 1.00 0.00 O ATOM 694 CB PRO A 96 7.870 -3.828 7.455 1.00 0.00 C ATOM 695 CG PRO A 96 7.194 -4.901 6.673 1.00 0.00 C ATOM 696 CD PRO A 96 5.986 -4.259 6.049 1.00 0.00 C ATOM 0 HA PRO A 96 7.507 -1.656 7.286 1.00 0.00 H new ATOM 0 HB2 PRO A 96 8.938 -4.022 7.552 1.00 0.00 H new ATOM 0 HB3 PRO A 96 7.465 -3.759 8.465 1.00 0.00 H new ATOM 0 HG2 PRO A 96 7.859 -5.306 5.910 1.00 0.00 H new ATOM 0 HG3 PRO A 96 6.906 -5.731 7.318 1.00 0.00 H new ATOM 0 HD2 PRO A 96 5.756 -4.695 5.077 1.00 0.00 H new ATOM 0 HD3 PRO A 96 5.099 -4.382 6.671 1.00 0.00 H new ATOM 704 N SER A 97 8.844 -2.973 4.620 1.00 0.00 N ATOM 705 CA SER A 97 9.915 -2.788 3.648 1.00 0.00 C ATOM 706 C SER A 97 9.369 -2.220 2.341 1.00 0.00 C ATOM 707 O SER A 97 8.941 -2.964 1.459 1.00 0.00 O ATOM 708 CB SER A 97 10.627 -4.116 3.383 1.00 0.00 C ATOM 709 OG SER A 97 11.975 -3.904 3.002 1.00 0.00 O ATOM 0 H SER A 97 8.169 -3.696 4.371 1.00 0.00 H new ATOM 0 HA SER A 97 10.630 -2.077 4.062 1.00 0.00 H new ATOM 0 HB2 SER A 97 10.592 -4.736 4.279 1.00 0.00 H new ATOM 0 HB3 SER A 97 10.105 -4.662 2.597 1.00 0.00 H new ATOM 0 HG SER A 97 12.409 -4.768 2.840 1.00 0.00 H new ATOM 715 N TYR A 98 9.389 -0.897 2.225 1.00 0.00 N ATOM 716 CA TYR A 98 8.895 -0.228 1.027 1.00 0.00 C ATOM 717 C TYR A 98 9.990 0.617 0.384 1.00 0.00 C ATOM 718 O TYR A 98 9.740 1.729 -0.080 1.00 0.00 O ATOM 719 CB TYR A 98 7.691 0.652 1.369 1.00 0.00 C ATOM 720 CG TYR A 98 8.042 1.858 2.210 1.00 0.00 C ATOM 721 CD1 TYR A 98 8.432 1.716 3.536 1.00 0.00 C ATOM 722 CD2 TYR A 98 7.984 3.141 1.679 1.00 0.00 C ATOM 723 CE1 TYR A 98 8.753 2.815 4.309 1.00 0.00 C ATOM 724 CE2 TYR A 98 8.305 4.246 2.443 1.00 0.00 C ATOM 725 CZ TYR A 98 8.688 4.078 3.758 1.00 0.00 C ATOM 726 OH TYR A 98 9.007 5.176 4.523 1.00 0.00 O ATOM 0 H TYR A 98 9.742 -0.267 2.945 1.00 0.00 H new ATOM 0 HA TYR A 98 8.587 -0.994 0.315 1.00 0.00 H new ATOM 0 HB2 TYR A 98 7.223 0.988 0.444 1.00 0.00 H new ATOM 0 HB3 TYR A 98 6.952 0.052 1.900 1.00 0.00 H new ATOM 0 HD1 TYR A 98 8.485 0.729 3.970 1.00 0.00 H new ATOM 0 HD2 TYR A 98 7.683 3.276 0.651 1.00 0.00 H new ATOM 0 HE1 TYR A 98 9.053 2.686 5.338 1.00 0.00 H new ATOM 0 HE2 TYR A 98 8.257 5.236 2.014 1.00 0.00 H new ATOM 0 HH TYR A 98 8.911 5.989 3.984 1.00 0.00 H new ATOM 736 N ALA A 99 11.206 0.080 0.360 1.00 0.00 N ATOM 737 CA ALA A 99 12.340 0.782 -0.228 1.00 0.00 C ATOM 738 C ALA A 99 12.713 0.187 -1.581 1.00 0.00 C ATOM 739 O ALA A 99 13.289 -0.898 -1.655 1.00 0.00 O ATOM 740 CB ALA A 99 13.533 0.742 0.716 1.00 0.00 C ATOM 0 H ALA A 99 11.431 -0.839 0.741 1.00 0.00 H new ATOM 0 HA ALA A 99 12.050 1.821 -0.385 1.00 0.00 H new ATOM 0 HB1 ALA A 99 14.373 1.270 0.264 1.00 0.00 H new ATOM 0 HB2 ALA A 99 13.268 1.222 1.658 1.00 0.00 H new ATOM 0 HB3 ALA A 99 13.814 -0.294 0.903 1.00 0.00 H new ATOM 746 N GLY A 100 12.379 0.903 -2.650 1.00 0.00 N ATOM 747 CA GLY A 100 12.686 0.428 -3.987 1.00 0.00 C ATOM 748 C GLY A 100 11.456 0.345 -4.869 1.00 0.00 C ATOM 749 O GLY A 100 11.525 0.618 -6.068 1.00 0.00 O ATOM 0 H GLY A 100 11.901 1.804 -2.614 1.00 0.00 H new ATOM 0 HA2 GLY A 100 13.415 1.094 -4.448 1.00 0.00 H new ATOM 0 HA3 GLY A 100 13.150 -0.556 -3.922 1.00 0.00 H new ATOM 753 N ILE A 101 10.330 -0.036 -4.276 1.00 0.00 N ATOM 754 CA ILE A 101 9.080 -0.155 -5.017 1.00 0.00 C ATOM 755 C ILE A 101 8.939 0.965 -6.042 1.00 0.00 C ATOM 756 O ILE A 101 9.175 2.134 -5.736 1.00 0.00 O ATOM 757 CB ILE A 101 7.862 -0.130 -4.075 1.00 0.00 C ATOM 758 CG1 ILE A 101 7.938 -1.287 -3.077 1.00 0.00 C ATOM 759 CG2 ILE A 101 6.571 -0.198 -4.876 1.00 0.00 C ATOM 760 CD1 ILE A 101 7.014 -1.124 -1.890 1.00 0.00 C ATOM 0 H ILE A 101 10.257 -0.267 -3.285 1.00 0.00 H new ATOM 0 HA ILE A 101 9.110 -1.115 -5.533 1.00 0.00 H new ATOM 0 HB ILE A 101 7.871 0.807 -3.518 1.00 0.00 H new ATOM 0 HG12 ILE A 101 7.694 -2.216 -3.592 1.00 0.00 H new ATOM 0 HG13 ILE A 101 8.963 -1.380 -2.719 1.00 0.00 H new ATOM 0 HG21 ILE A 101 5.719 -0.179 -4.196 1.00 0.00 H new ATOM 0 HG22 ILE A 101 6.516 0.657 -5.550 1.00 0.00 H new ATOM 0 HG23 ILE A 101 6.551 -1.120 -5.457 1.00 0.00 H new ATOM 0 HD11 ILE A 101 7.121 -1.981 -1.225 1.00 0.00 H new ATOM 0 HD12 ILE A 101 7.271 -0.212 -1.351 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.983 -1.061 -2.238 1.00 0.00 H new ATOM 772 N SER A 102 8.551 0.600 -7.260 1.00 0.00 N ATOM 773 CA SER A 102 8.380 1.574 -8.331 1.00 0.00 C ATOM 774 C SER A 102 7.077 2.349 -8.159 1.00 0.00 C ATOM 775 O SER A 102 7.043 3.568 -8.318 1.00 0.00 O ATOM 776 CB SER A 102 8.395 0.875 -9.692 1.00 0.00 C ATOM 777 OG SER A 102 8.495 1.815 -10.748 1.00 0.00 O ATOM 0 H SER A 102 8.349 -0.363 -7.529 1.00 0.00 H new ATOM 0 HA SER A 102 9.210 2.279 -8.283 1.00 0.00 H new ATOM 0 HB2 SER A 102 9.234 0.181 -9.738 1.00 0.00 H new ATOM 0 HB3 SER A 102 7.486 0.285 -9.811 1.00 0.00 H new ATOM 0 HG SER A 102 8.504 1.343 -11.607 1.00 0.00 H new ATOM 783 N GLU A 103 6.008 1.630 -7.832 1.00 0.00 N ATOM 784 CA GLU A 103 4.702 2.249 -7.638 1.00 0.00 C ATOM 785 C GLU A 103 4.736 3.240 -6.479 1.00 0.00 C ATOM 786 O GLU A 103 4.149 4.321 -6.553 1.00 0.00 O ATOM 787 CB GLU A 103 3.639 1.180 -7.378 1.00 0.00 C ATOM 788 CG GLU A 103 2.241 1.595 -7.804 1.00 0.00 C ATOM 789 CD GLU A 103 1.932 1.218 -9.240 1.00 0.00 C ATOM 790 OE1 GLU A 103 2.752 1.536 -10.126 1.00 0.00 O ATOM 791 OE2 GLU A 103 0.870 0.606 -9.476 1.00 0.00 O ATOM 0 H GLU A 103 6.020 0.619 -7.696 1.00 0.00 H new ATOM 0 HA GLU A 103 4.447 2.790 -8.549 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.915 0.268 -7.908 1.00 0.00 H new ATOM 0 HB3 GLU A 103 3.629 0.940 -6.315 1.00 0.00 H new ATOM 0 HG2 GLU A 103 1.510 1.127 -7.144 1.00 0.00 H new ATOM 0 HG3 GLU A 103 2.134 2.673 -7.684 1.00 0.00 H new ATOM 798 N LEU A 104 5.427 2.865 -5.408 1.00 0.00 N ATOM 799 CA LEU A 104 5.539 3.720 -4.231 1.00 0.00 C ATOM 800 C LEU A 104 6.699 4.699 -4.377 1.00 0.00 C ATOM 801 O LEU A 104 6.506 5.914 -4.356 1.00 0.00 O ATOM 802 CB LEU A 104 5.730 2.869 -2.975 1.00 0.00 C ATOM 803 CG LEU A 104 4.451 2.418 -2.268 1.00 0.00 C ATOM 804 CD1 LEU A 104 3.936 1.121 -2.872 1.00 0.00 C ATOM 805 CD2 LEU A 104 4.696 2.254 -0.775 1.00 0.00 C ATOM 0 H LEU A 104 5.918 1.974 -5.330 1.00 0.00 H new ATOM 0 HA LEU A 104 4.615 4.291 -4.138 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.304 1.982 -3.245 1.00 0.00 H new ATOM 0 HB3 LEU A 104 6.333 3.435 -2.265 1.00 0.00 H new ATOM 0 HG LEU A 104 3.691 3.187 -2.408 1.00 0.00 H new ATOM 0 HD11 LEU A 104 3.026 0.816 -2.356 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.720 1.273 -3.930 1.00 0.00 H new ATOM 0 HD13 LEU A 104 4.692 0.344 -2.764 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.775 1.933 -0.288 1.00 0.00 H new ATOM 0 HD22 LEU A 104 5.472 1.506 -0.614 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.017 3.206 -0.352 1.00 0.00 H new ATOM 817 N ASN A 105 7.905 4.161 -4.528 1.00 0.00 N ATOM 818 CA ASN A 105 9.097 4.988 -4.679 1.00 0.00 C ATOM 819 C ASN A 105 9.295 5.395 -6.136 1.00 0.00 C ATOM 820 O ASN A 105 8.880 4.684 -7.051 1.00 0.00 O ATOM 821 CB ASN A 105 10.332 4.236 -4.176 1.00 0.00 C ATOM 822 CG ASN A 105 11.413 5.173 -3.672 1.00 0.00 C ATOM 823 OD1 ASN A 105 11.286 6.394 -3.767 1.00 0.00 O ATOM 824 ND2 ASN A 105 12.485 4.603 -3.133 1.00 0.00 N ATOM 0 H ASN A 105 8.083 3.157 -4.549 1.00 0.00 H new ATOM 0 HA ASN A 105 8.961 5.890 -4.083 1.00 0.00 H new ATOM 0 HB2 ASN A 105 10.040 3.558 -3.374 1.00 0.00 H new ATOM 0 HB3 ASN A 105 10.734 3.622 -4.982 1.00 0.00 H new ATOM 0 HD21 ASN A 105 13.246 5.182 -2.777 1.00 0.00 H new ATOM 0 HD22 ASN A 105 12.547 3.587 -3.075 1.00 0.00 H new ATOM 831 N GLN A 106 9.932 6.543 -6.343 1.00 0.00 N ATOM 832 CA GLN A 106 10.185 7.045 -7.688 1.00 0.00 C ATOM 833 C GLN A 106 9.040 6.682 -8.628 1.00 0.00 C ATOM 834 O GLN A 106 9.239 6.082 -9.685 1.00 0.00 O ATOM 835 CB GLN A 106 11.501 6.482 -8.226 1.00 0.00 C ATOM 836 CG GLN A 106 11.506 4.968 -8.359 1.00 0.00 C ATOM 837 CD GLN A 106 11.994 4.274 -7.103 1.00 0.00 C ATOM 838 OE1 GLN A 106 12.671 4.877 -6.270 1.00 0.00 O ATOM 839 NE2 GLN A 106 11.653 2.998 -6.961 1.00 0.00 N ATOM 0 H GLN A 106 10.282 7.143 -5.596 1.00 0.00 H new ATOM 0 HA GLN A 106 10.258 8.131 -7.636 1.00 0.00 H new ATOM 0 HB2 GLN A 106 11.704 6.925 -9.201 1.00 0.00 H new ATOM 0 HB3 GLN A 106 12.313 6.783 -7.564 1.00 0.00 H new ATOM 0 HG2 GLN A 106 10.498 4.624 -8.591 1.00 0.00 H new ATOM 0 HG3 GLN A 106 12.141 4.683 -9.197 1.00 0.00 H new ATOM 0 HE21 GLN A 106 11.090 2.538 -7.677 1.00 0.00 H new ATOM 0 HE22 GLN A 106 11.954 2.479 -6.136 1.00 0.00 H new ATOM 848 N PRO A 107 7.812 7.052 -8.237 1.00 0.00 N ATOM 849 CA PRO A 107 6.611 6.775 -9.031 1.00 0.00 C ATOM 850 C PRO A 107 6.559 7.602 -10.311 1.00 0.00 C ATOM 851 O PRO A 107 7.296 8.576 -10.462 1.00 0.00 O ATOM 852 CB PRO A 107 5.467 7.169 -8.093 1.00 0.00 C ATOM 853 CG PRO A 107 6.063 8.174 -7.170 1.00 0.00 C ATOM 854 CD PRO A 107 7.501 7.770 -6.990 1.00 0.00 C ATOM 0 HA PRO A 107 6.571 5.737 -9.361 1.00 0.00 H new ATOM 0 HB2 PRO A 107 4.628 7.589 -8.647 1.00 0.00 H new ATOM 0 HB3 PRO A 107 5.088 6.305 -7.547 1.00 0.00 H new ATOM 0 HG2 PRO A 107 5.989 9.179 -7.587 1.00 0.00 H new ATOM 0 HG3 PRO A 107 5.538 8.186 -6.215 1.00 0.00 H new ATOM 0 HD2 PRO A 107 8.148 8.637 -6.853 1.00 0.00 H new ATOM 0 HD3 PRO A 107 7.633 7.133 -6.116 1.00 0.00 H new ATOM 862 N ALA A 108 5.683 7.208 -11.230 1.00 0.00 N ATOM 863 CA ALA A 108 5.534 7.915 -12.496 1.00 0.00 C ATOM 864 C ALA A 108 4.161 8.569 -12.600 1.00 0.00 C ATOM 865 O ALA A 108 3.302 8.373 -11.741 1.00 0.00 O ATOM 866 CB ALA A 108 5.756 6.962 -13.661 1.00 0.00 C ATOM 0 H ALA A 108 5.066 6.403 -11.121 1.00 0.00 H new ATOM 0 HA ALA A 108 6.287 8.702 -12.536 1.00 0.00 H new ATOM 0 HB1 ALA A 108 5.642 7.503 -14.600 1.00 0.00 H new ATOM 0 HB2 ALA A 108 6.761 6.544 -13.603 1.00 0.00 H new ATOM 0 HB3 ALA A 108 5.024 6.155 -13.616 1.00 0.00 H new TER 872 ALA A 108 HETATM 873 ZN ZN A 200 -9.450 -2.736 -0.910 1.00 0.00 ZN