USER MOD reduce.3.24.130724 H: found=0, std=0, add=426, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 427 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 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 98 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 71 ASN : amide:sc= 1.53 K(o=1.4,f=-4) USER MOD Set 2.2: A 74 CYS SG : rot 71:sc= -0.0329 USER MOD Set 2.3: A 86 ASN : amide:sc= -0.0678 K(o=1.4,f=0.42!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc=4.87e-06 USER MOD Single : A 54 SER OG : rot 38:sc= 0.512 USER MOD Single : A 55 SER OG : rot 22:sc= 0.838 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 180:sc= -0.303 USER MOD Single : A 75 GLN : amide:sc= -0.0236 X(o=-0.024,f=-0.081) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.571 K(o=-0.57,f=-3.3!) USER MOD Single : A 92 ASN : amide:sc= 0.172 K(o=0.17,f=-2) USER MOD Single : A 93 GLN : amide:sc= -0.102 K(o=-0.1,f=-1.4!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= -0.234 K(o=-0.23,f=-2.8) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 50 19.610 1.082 -0.167 1.00 0.00 N ATOM 2 CA GLY A 50 18.803 0.006 -0.712 1.00 0.00 C ATOM 3 C GLY A 50 18.870 -1.253 0.128 1.00 0.00 C ATOM 4 O GLY A 50 19.283 -1.213 1.287 1.00 0.00 O ATOM 0 HA2 GLY A 50 17.766 0.335 -0.785 1.00 0.00 H new ATOM 0 HA3 GLY A 50 19.139 -0.218 -1.724 1.00 0.00 H new ATOM 8 N SER A 51 18.464 -2.376 -0.457 1.00 0.00 N ATOM 9 CA SER A 51 18.475 -3.652 0.248 1.00 0.00 C ATOM 10 C SER A 51 18.977 -4.770 -0.661 1.00 0.00 C ATOM 11 O SER A 51 18.367 -5.072 -1.687 1.00 0.00 O ATOM 12 CB SER A 51 17.073 -3.988 0.761 1.00 0.00 C ATOM 13 OG SER A 51 17.119 -5.017 1.734 1.00 0.00 O ATOM 0 H SER A 51 18.124 -2.428 -1.417 1.00 0.00 H new ATOM 0 HA SER A 51 19.153 -3.564 1.097 1.00 0.00 H new ATOM 0 HB2 SER A 51 16.616 -3.097 1.191 1.00 0.00 H new ATOM 0 HB3 SER A 51 16.442 -4.299 -0.072 1.00 0.00 H new ATOM 0 HG SER A 51 16.211 -5.212 2.047 1.00 0.00 H new ATOM 19 N SER A 52 20.094 -5.380 -0.277 1.00 0.00 N ATOM 20 CA SER A 52 20.681 -6.462 -1.058 1.00 0.00 C ATOM 21 C SER A 52 19.650 -7.550 -1.342 1.00 0.00 C ATOM 22 O SER A 52 18.509 -7.472 -0.889 1.00 0.00 O ATOM 23 CB SER A 52 21.880 -7.060 -0.319 1.00 0.00 C ATOM 24 OG SER A 52 22.659 -7.869 -1.183 1.00 0.00 O ATOM 0 H SER A 52 20.610 -5.143 0.570 1.00 0.00 H new ATOM 0 HA SER A 52 21.018 -6.049 -2.009 1.00 0.00 H new ATOM 0 HB2 SER A 52 22.497 -6.259 0.089 1.00 0.00 H new ATOM 0 HB3 SER A 52 21.531 -7.655 0.525 1.00 0.00 H new ATOM 0 HG SER A 52 23.420 -8.238 -0.688 1.00 0.00 H new ATOM 30 N GLY A 53 20.061 -8.564 -2.096 1.00 0.00 N ATOM 31 CA GLY A 53 19.162 -9.654 -2.428 1.00 0.00 C ATOM 32 C GLY A 53 18.528 -9.486 -3.795 1.00 0.00 C ATOM 33 O GLY A 53 18.732 -8.472 -4.461 1.00 0.00 O ATOM 0 H GLY A 53 21.001 -8.651 -2.483 1.00 0.00 H new ATOM 0 HA2 GLY A 53 19.711 -10.595 -2.398 1.00 0.00 H new ATOM 0 HA3 GLY A 53 18.379 -9.718 -1.673 1.00 0.00 H new ATOM 37 N SER A 54 17.757 -10.485 -4.214 1.00 0.00 N ATOM 38 CA SER A 54 17.095 -10.446 -5.513 1.00 0.00 C ATOM 39 C SER A 54 15.579 -10.398 -5.349 1.00 0.00 C ATOM 40 O SER A 54 14.961 -11.364 -4.902 1.00 0.00 O ATOM 41 CB SER A 54 17.491 -11.665 -6.348 1.00 0.00 C ATOM 42 OG SER A 54 17.200 -12.870 -5.660 1.00 0.00 O ATOM 0 H SER A 54 17.576 -11.331 -3.673 1.00 0.00 H new ATOM 0 HA SER A 54 17.416 -9.541 -6.030 1.00 0.00 H new ATOM 0 HB2 SER A 54 16.958 -11.647 -7.299 1.00 0.00 H new ATOM 0 HB3 SER A 54 18.555 -11.622 -6.578 1.00 0.00 H new ATOM 0 HG SER A 54 16.355 -12.773 -5.173 1.00 0.00 H new ATOM 48 N SER A 55 14.986 -9.265 -5.714 1.00 0.00 N ATOM 49 CA SER A 55 13.543 -9.088 -5.605 1.00 0.00 C ATOM 50 C SER A 55 13.059 -7.981 -6.537 1.00 0.00 C ATOM 51 O SER A 55 13.858 -7.228 -7.092 1.00 0.00 O ATOM 52 CB SER A 55 13.157 -8.761 -4.161 1.00 0.00 C ATOM 53 OG SER A 55 13.186 -9.921 -3.349 1.00 0.00 O ATOM 0 H SER A 55 15.483 -8.456 -6.088 1.00 0.00 H new ATOM 0 HA SER A 55 13.063 -10.021 -5.900 1.00 0.00 H new ATOM 0 HB2 SER A 55 13.842 -8.015 -3.759 1.00 0.00 H new ATOM 0 HB3 SER A 55 12.159 -8.323 -4.139 1.00 0.00 H new ATOM 0 HG SER A 55 13.761 -10.597 -3.764 1.00 0.00 H new ATOM 59 N GLY A 56 11.743 -7.890 -6.703 1.00 0.00 N ATOM 60 CA GLY A 56 11.174 -6.873 -7.568 1.00 0.00 C ATOM 61 C GLY A 56 9.663 -6.960 -7.649 1.00 0.00 C ATOM 62 O GLY A 56 9.075 -6.689 -8.695 1.00 0.00 O ATOM 0 H GLY A 56 11.061 -8.502 -6.254 1.00 0.00 H new ATOM 0 HA2 GLY A 56 11.459 -5.887 -7.201 1.00 0.00 H new ATOM 0 HA3 GLY A 56 11.595 -6.974 -8.568 1.00 0.00 H new ATOM 66 N GLU A 57 9.034 -7.340 -6.541 1.00 0.00 N ATOM 67 CA GLU A 57 7.581 -7.464 -6.493 1.00 0.00 C ATOM 68 C GLU A 57 6.919 -6.090 -6.456 1.00 0.00 C ATOM 69 O GLU A 57 7.377 -5.170 -5.777 1.00 0.00 O ATOM 70 CB GLU A 57 7.158 -8.280 -5.270 1.00 0.00 C ATOM 71 CG GLU A 57 5.748 -8.838 -5.369 1.00 0.00 C ATOM 72 CD GLU A 57 5.392 -9.737 -4.201 1.00 0.00 C ATOM 73 OE1 GLU A 57 5.772 -10.926 -4.231 1.00 0.00 O ATOM 74 OE2 GLU A 57 4.735 -9.251 -3.256 1.00 0.00 O ATOM 0 H GLU A 57 9.507 -7.567 -5.666 1.00 0.00 H new ATOM 0 HA GLU A 57 7.255 -7.980 -7.396 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.858 -9.105 -5.134 1.00 0.00 H new ATOM 0 HB3 GLU A 57 7.230 -7.652 -4.382 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.037 -8.013 -5.417 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.648 -9.399 -6.298 1.00 0.00 H new ATOM 81 N PRO A 58 5.814 -5.946 -7.203 1.00 0.00 N ATOM 82 CA PRO A 58 5.065 -4.688 -7.273 1.00 0.00 C ATOM 83 C PRO A 58 4.342 -4.370 -5.968 1.00 0.00 C ATOM 84 O PRO A 58 3.631 -5.213 -5.419 1.00 0.00 O ATOM 85 CB PRO A 58 4.055 -4.939 -8.396 1.00 0.00 C ATOM 86 CG PRO A 58 3.881 -6.418 -8.425 1.00 0.00 C ATOM 87 CD PRO A 58 5.212 -7.000 -8.036 1.00 0.00 C ATOM 0 HA PRO A 58 5.718 -3.834 -7.451 1.00 0.00 H new ATOM 0 HB2 PRO A 58 3.110 -4.433 -8.199 1.00 0.00 H new ATOM 0 HB3 PRO A 58 4.424 -4.565 -9.351 1.00 0.00 H new ATOM 0 HG2 PRO A 58 3.100 -6.733 -7.732 1.00 0.00 H new ATOM 0 HG3 PRO A 58 3.582 -6.756 -9.417 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.097 -7.932 -7.483 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.825 -7.221 -8.910 1.00 0.00 H new ATOM 95 N VAL A 59 4.528 -3.150 -5.476 1.00 0.00 N ATOM 96 CA VAL A 59 3.892 -2.720 -4.236 1.00 0.00 C ATOM 97 C VAL A 59 2.378 -2.632 -4.397 1.00 0.00 C ATOM 98 O VAL A 59 1.875 -1.920 -5.267 1.00 0.00 O ATOM 99 CB VAL A 59 4.428 -1.352 -3.775 1.00 0.00 C ATOM 100 CG1 VAL A 59 5.874 -1.472 -3.318 1.00 0.00 C ATOM 101 CG2 VAL A 59 4.296 -0.325 -4.889 1.00 0.00 C ATOM 0 H VAL A 59 5.114 -2.441 -5.917 1.00 0.00 H new ATOM 0 HA VAL A 59 4.132 -3.469 -3.481 1.00 0.00 H new ATOM 0 HB VAL A 59 3.831 -1.014 -2.928 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.236 -0.496 -2.996 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.936 -2.174 -2.487 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.488 -1.832 -4.144 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.680 0.636 -4.546 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.867 -0.654 -5.757 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.247 -0.219 -5.164 1.00 0.00 H new ATOM 111 N LEU A 60 1.656 -3.360 -3.552 1.00 0.00 N ATOM 112 CA LEU A 60 0.198 -3.364 -3.598 1.00 0.00 C ATOM 113 C LEU A 60 -0.390 -2.839 -2.292 1.00 0.00 C ATOM 114 O LEU A 60 0.021 -3.247 -1.206 1.00 0.00 O ATOM 115 CB LEU A 60 -0.319 -4.777 -3.872 1.00 0.00 C ATOM 116 CG LEU A 60 0.286 -5.491 -5.082 1.00 0.00 C ATOM 117 CD1 LEU A 60 -0.156 -6.945 -5.120 1.00 0.00 C ATOM 118 CD2 LEU A 60 -0.102 -4.779 -6.370 1.00 0.00 C ATOM 0 H LEU A 60 2.057 -3.955 -2.827 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.117 -2.705 -4.407 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.137 -5.387 -2.987 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.399 -4.727 -4.008 1.00 0.00 H new ATOM 0 HG LEU A 60 1.372 -5.466 -4.989 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.284 -7.437 -5.988 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.173 -7.449 -4.211 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.243 -6.993 -5.188 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.337 -5.301 -7.220 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.187 -4.772 -6.469 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.266 -3.753 -6.344 1.00 0.00 H new ATOM 130 N CYS A 61 -1.357 -1.935 -2.406 1.00 0.00 N ATOM 131 CA CYS A 61 -2.004 -1.355 -1.236 1.00 0.00 C ATOM 132 C CYS A 61 -2.331 -2.432 -0.206 1.00 0.00 C ATOM 133 O CYS A 61 -2.988 -3.425 -0.518 1.00 0.00 O ATOM 134 CB CYS A 61 -3.283 -0.621 -1.645 1.00 0.00 C ATOM 135 SG CYS A 61 -4.081 0.295 -0.288 1.00 0.00 S ATOM 0 H CYS A 61 -1.710 -1.588 -3.298 1.00 0.00 H new ATOM 0 HA CYS A 61 -1.313 -0.643 -0.785 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -3.048 0.075 -2.450 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -3.992 -1.345 -2.047 1.00 0.00 H new ATOM 140 N SER A 62 -1.868 -2.228 1.023 1.00 0.00 N ATOM 141 CA SER A 62 -2.107 -3.183 2.099 1.00 0.00 C ATOM 142 C SER A 62 -3.540 -3.706 2.052 1.00 0.00 C ATOM 143 O SER A 62 -3.770 -4.899 1.851 1.00 0.00 O ATOM 144 CB SER A 62 -1.834 -2.533 3.457 1.00 0.00 C ATOM 145 OG SER A 62 -2.007 -3.463 4.512 1.00 0.00 O ATOM 0 H SER A 62 -1.325 -1.410 1.299 1.00 0.00 H new ATOM 0 HA SER A 62 -1.426 -4.024 1.963 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.818 -2.140 3.478 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.506 -1.687 3.600 1.00 0.00 H new ATOM 0 HG SER A 62 -1.825 -3.023 5.369 1.00 0.00 H new ATOM 151 N ARG A 63 -4.499 -2.805 2.239 1.00 0.00 N ATOM 152 CA ARG A 63 -5.909 -3.175 2.219 1.00 0.00 C ATOM 153 C ARG A 63 -6.164 -4.291 1.211 1.00 0.00 C ATOM 154 O ARG A 63 -5.875 -4.148 0.022 1.00 0.00 O ATOM 155 CB ARG A 63 -6.772 -1.959 1.879 1.00 0.00 C ATOM 156 CG ARG A 63 -8.242 -2.140 2.220 1.00 0.00 C ATOM 157 CD ARG A 63 -8.950 -0.802 2.362 1.00 0.00 C ATOM 158 NE ARG A 63 -10.164 -0.908 3.168 1.00 0.00 N ATOM 159 CZ ARG A 63 -10.163 -0.938 4.496 1.00 0.00 C ATOM 160 NH1 ARG A 63 -9.020 -0.869 5.164 1.00 0.00 N ATOM 161 NH2 ARG A 63 -11.309 -1.035 5.159 1.00 0.00 N ATOM 0 H ARG A 63 -4.325 -1.814 2.406 1.00 0.00 H new ATOM 0 HA ARG A 63 -6.178 -3.537 3.211 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.388 -1.091 2.414 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.679 -1.744 0.814 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -8.727 -2.729 1.442 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -8.334 -2.702 3.149 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -8.273 -0.080 2.819 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -9.203 -0.419 1.373 1.00 0.00 H new ATOM 0 HE ARG A 63 -11.061 -0.962 2.685 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -8.138 -0.793 4.658 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -9.023 -0.892 6.184 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -12.191 -1.087 4.649 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -11.308 -1.058 6.179 1.00 0.00 H new ATOM 175 N THR A 64 -6.708 -5.405 1.693 1.00 0.00 N ATOM 176 CA THR A 64 -7.000 -6.546 0.836 1.00 0.00 C ATOM 177 C THR A 64 -8.123 -6.224 -0.144 1.00 0.00 C ATOM 178 O THR A 64 -8.080 -6.624 -1.308 1.00 0.00 O ATOM 179 CB THR A 64 -7.396 -7.784 1.663 1.00 0.00 C ATOM 180 OG1 THR A 64 -7.750 -8.863 0.792 1.00 0.00 O ATOM 181 CG2 THR A 64 -8.562 -7.467 2.587 1.00 0.00 C ATOM 0 H THR A 64 -6.955 -5.540 2.673 1.00 0.00 H new ATOM 0 HA THR A 64 -6.088 -6.766 0.281 1.00 0.00 H new ATOM 0 HB THR A 64 -6.540 -8.076 2.271 1.00 0.00 H new ATOM 0 HG1 THR A 64 -7.999 -9.646 1.326 1.00 0.00 H new ATOM 0 HG21 THR A 64 -8.824 -8.356 3.161 1.00 0.00 H new ATOM 0 HG22 THR A 64 -8.278 -6.666 3.269 1.00 0.00 H new ATOM 0 HG23 THR A 64 -9.421 -7.152 1.994 1.00 0.00 H new ATOM 189 N THR A 65 -9.130 -5.498 0.334 1.00 0.00 N ATOM 190 CA THR A 65 -10.265 -5.123 -0.499 1.00 0.00 C ATOM 191 C THR A 65 -9.856 -4.105 -1.558 1.00 0.00 C ATOM 192 O THR A 65 -10.498 -3.989 -2.603 1.00 0.00 O ATOM 193 CB THR A 65 -11.412 -4.537 0.345 1.00 0.00 C ATOM 194 OG1 THR A 65 -10.993 -3.311 0.956 1.00 0.00 O ATOM 195 CG2 THR A 65 -11.852 -5.521 1.418 1.00 0.00 C ATOM 0 H THR A 65 -9.182 -5.158 1.294 1.00 0.00 H new ATOM 0 HA THR A 65 -10.613 -6.033 -0.988 1.00 0.00 H new ATOM 0 HB THR A 65 -12.257 -4.343 -0.315 1.00 0.00 H new ATOM 0 HG1 THR A 65 -11.728 -2.943 1.490 1.00 0.00 H new ATOM 0 HG21 THR A 65 -12.663 -5.085 2.001 1.00 0.00 H new ATOM 0 HG22 THR A 65 -12.198 -6.442 0.948 1.00 0.00 H new ATOM 0 HG23 THR A 65 -11.011 -5.743 2.075 1.00 0.00 H new ATOM 203 N CYS A 66 -8.785 -3.370 -1.283 1.00 0.00 N ATOM 204 CA CYS A 66 -8.290 -2.361 -2.212 1.00 0.00 C ATOM 205 C CYS A 66 -7.377 -2.989 -3.261 1.00 0.00 C ATOM 206 O CYS A 66 -7.725 -3.059 -4.440 1.00 0.00 O ATOM 207 CB CYS A 66 -7.537 -1.266 -1.455 1.00 0.00 C ATOM 208 SG CYS A 66 -7.290 0.265 -2.411 1.00 0.00 S ATOM 0 H CYS A 66 -8.242 -3.454 -0.424 1.00 0.00 H new ATOM 0 HA CYS A 66 -9.147 -1.919 -2.719 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -8.084 -1.028 -0.543 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -6.564 -1.653 -1.151 1.00 0.00 H new ATOM 213 N ARG A 67 -6.207 -3.444 -2.824 1.00 0.00 N ATOM 214 CA ARG A 67 -5.244 -4.065 -3.724 1.00 0.00 C ATOM 215 C ARG A 67 -4.983 -3.177 -4.937 1.00 0.00 C ATOM 216 O ARG A 67 -4.858 -3.665 -6.060 1.00 0.00 O ATOM 217 CB ARG A 67 -5.750 -5.435 -4.181 1.00 0.00 C ATOM 218 CG ARG A 67 -5.763 -6.478 -3.075 1.00 0.00 C ATOM 219 CD ARG A 67 -4.385 -7.085 -2.864 1.00 0.00 C ATOM 220 NE ARG A 67 -4.085 -8.118 -3.852 1.00 0.00 N ATOM 221 CZ ARG A 67 -3.087 -8.986 -3.727 1.00 0.00 C ATOM 222 NH1 ARG A 67 -2.298 -8.945 -2.662 1.00 0.00 N ATOM 223 NH2 ARG A 67 -2.877 -9.898 -4.668 1.00 0.00 N ATOM 0 H ARG A 67 -5.904 -3.394 -1.851 1.00 0.00 H new ATOM 0 HA ARG A 67 -4.308 -4.194 -3.181 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -6.759 -5.326 -4.579 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.122 -5.791 -4.998 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -6.106 -6.021 -2.147 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -6.474 -7.265 -3.325 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -3.631 -6.300 -2.920 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -4.327 -7.513 -1.863 1.00 0.00 H new ATOM 0 HE ARG A 67 -4.674 -8.176 -4.683 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -2.457 -8.246 -1.936 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -1.532 -9.613 -2.568 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -3.482 -9.933 -5.488 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -2.110 -10.564 -4.571 1.00 0.00 H new ATOM 237 N ALA A 68 -4.902 -1.872 -4.702 1.00 0.00 N ATOM 238 CA ALA A 68 -4.654 -0.916 -5.775 1.00 0.00 C ATOM 239 C ALA A 68 -3.164 -0.632 -5.924 1.00 0.00 C ATOM 240 O ALA A 68 -2.546 -0.029 -5.048 1.00 0.00 O ATOM 241 CB ALA A 68 -5.416 0.375 -5.518 1.00 0.00 C ATOM 0 H ALA A 68 -5.004 -1.452 -3.778 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.008 -1.355 -6.708 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.222 1.079 -6.327 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -6.484 0.164 -5.470 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.089 0.809 -4.573 1.00 0.00 H new ATOM 247 N VAL A 69 -2.591 -1.073 -7.040 1.00 0.00 N ATOM 248 CA VAL A 69 -1.172 -0.865 -7.305 1.00 0.00 C ATOM 249 C VAL A 69 -0.786 0.598 -7.118 1.00 0.00 C ATOM 250 O VAL A 69 -1.500 1.500 -7.559 1.00 0.00 O ATOM 251 CB VAL A 69 -0.797 -1.306 -8.732 1.00 0.00 C ATOM 252 CG1 VAL A 69 0.677 -1.045 -9.001 1.00 0.00 C ATOM 253 CG2 VAL A 69 -1.134 -2.774 -8.942 1.00 0.00 C ATOM 0 H VAL A 69 -3.088 -1.576 -7.775 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.623 -1.476 -6.588 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.381 -0.718 -9.441 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.924 -1.363 -10.014 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.883 0.020 -8.894 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.282 -1.605 -8.288 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.862 -3.068 -9.956 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.579 -3.381 -8.227 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.203 -2.927 -8.794 1.00 0.00 H new ATOM 263 N LEU A 70 0.346 0.826 -6.463 1.00 0.00 N ATOM 264 CA LEU A 70 0.829 2.181 -6.218 1.00 0.00 C ATOM 265 C LEU A 70 0.762 3.021 -7.489 1.00 0.00 C ATOM 266 O LEU A 70 1.364 2.677 -8.505 1.00 0.00 O ATOM 267 CB LEU A 70 2.265 2.145 -5.692 1.00 0.00 C ATOM 268 CG LEU A 70 3.048 3.455 -5.789 1.00 0.00 C ATOM 269 CD1 LEU A 70 2.452 4.502 -4.861 1.00 0.00 C ATOM 270 CD2 LEU A 70 4.516 3.223 -5.462 1.00 0.00 C ATOM 0 H LEU A 70 0.947 0.091 -6.092 1.00 0.00 H new ATOM 0 HA LEU A 70 0.185 2.639 -5.467 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.240 1.836 -4.647 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.812 1.377 -6.239 1.00 0.00 H new ATOM 0 HG LEU A 70 2.978 3.824 -6.812 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.022 5.428 -4.943 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.415 4.688 -5.141 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.491 4.142 -3.833 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.059 4.165 -5.536 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.606 2.831 -4.449 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.937 2.506 -6.167 1.00 0.00 H new ATOM 282 N ASN A 71 0.026 4.126 -7.424 1.00 0.00 N ATOM 283 CA ASN A 71 -0.118 5.017 -8.570 1.00 0.00 C ATOM 284 C ASN A 71 0.365 6.423 -8.230 1.00 0.00 C ATOM 285 O ASN A 71 0.442 6.816 -7.066 1.00 0.00 O ATOM 286 CB ASN A 71 -1.579 5.063 -9.025 1.00 0.00 C ATOM 287 CG ASN A 71 -2.549 4.995 -7.862 1.00 0.00 C ATOM 288 OD1 ASN A 71 -2.815 5.999 -7.201 1.00 0.00 O ATOM 289 ND2 ASN A 71 -3.084 3.806 -7.607 1.00 0.00 N ATOM 0 H ASN A 71 -0.480 4.426 -6.590 1.00 0.00 H new ATOM 0 HA ASN A 71 0.497 4.628 -9.382 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -1.753 5.981 -9.587 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.772 4.232 -9.704 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.744 3.698 -6.837 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.835 3.001 -8.181 1.00 0.00 H new ATOM 296 N PRO A 72 0.699 7.202 -9.270 1.00 0.00 N ATOM 297 CA PRO A 72 1.179 8.577 -9.107 1.00 0.00 C ATOM 298 C PRO A 72 0.083 9.521 -8.627 1.00 0.00 C ATOM 299 O PRO A 72 0.334 10.697 -8.361 1.00 0.00 O ATOM 300 CB PRO A 72 1.637 8.962 -10.516 1.00 0.00 C ATOM 301 CG PRO A 72 0.838 8.092 -11.425 1.00 0.00 C ATOM 302 CD PRO A 72 0.632 6.799 -10.685 1.00 0.00 C ATOM 0 HA PRO A 72 1.964 8.648 -8.354 1.00 0.00 H new ATOM 0 HB2 PRO A 72 1.455 10.018 -10.717 1.00 0.00 H new ATOM 0 HB3 PRO A 72 2.706 8.793 -10.645 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -0.117 8.557 -11.671 1.00 0.00 H new ATOM 0 HG3 PRO A 72 1.363 7.924 -12.366 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -0.329 6.345 -10.929 1.00 0.00 H new ATOM 0 HD3 PRO A 72 1.402 6.068 -10.932 1.00 0.00 H new ATOM 310 N LEU A 73 -1.134 9.000 -8.516 1.00 0.00 N ATOM 311 CA LEU A 73 -2.270 9.797 -8.067 1.00 0.00 C ATOM 312 C LEU A 73 -2.339 9.836 -6.543 1.00 0.00 C ATOM 313 O LEU A 73 -2.777 10.827 -5.957 1.00 0.00 O ATOM 314 CB LEU A 73 -3.573 9.228 -8.632 1.00 0.00 C ATOM 315 CG LEU A 73 -3.676 9.176 -10.157 1.00 0.00 C ATOM 316 CD1 LEU A 73 -4.556 8.015 -10.593 1.00 0.00 C ATOM 317 CD2 LEU A 73 -4.215 10.490 -10.701 1.00 0.00 C ATOM 0 H LEU A 73 -1.359 8.029 -8.731 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.135 10.815 -8.433 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.703 8.218 -8.244 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.402 9.825 -8.252 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.677 9.021 -10.564 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.618 7.994 -11.681 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.127 7.079 -10.236 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.555 8.139 -10.175 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.281 10.434 -11.788 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.206 10.677 -10.286 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.545 11.302 -10.420 1.00 0.00 H new ATOM 329 N CYS A 74 -1.901 8.755 -5.908 1.00 0.00 N ATOM 330 CA CYS A 74 -1.911 8.666 -4.453 1.00 0.00 C ATOM 331 C CYS A 74 -1.105 9.804 -3.833 1.00 0.00 C ATOM 332 O CYS A 74 -0.277 10.425 -4.499 1.00 0.00 O ATOM 333 CB CYS A 74 -1.346 7.319 -3.999 1.00 0.00 C ATOM 334 SG CYS A 74 -2.469 5.925 -4.252 1.00 0.00 S ATOM 0 H CYS A 74 -1.534 7.928 -6.378 1.00 0.00 H new ATOM 0 HA CYS A 74 -2.944 8.750 -4.116 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -0.418 7.126 -4.537 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -1.094 7.381 -2.940 1.00 0.00 H new ATOM 0 HG CYS A 74 -2.570 5.674 -5.524 1.00 0.00 H new ATOM 340 N GLN A 75 -1.355 10.072 -2.555 1.00 0.00 N ATOM 341 CA GLN A 75 -0.655 11.136 -1.847 1.00 0.00 C ATOM 342 C GLN A 75 0.638 10.618 -1.226 1.00 0.00 C ATOM 343 O GLN A 75 0.630 10.058 -0.129 1.00 0.00 O ATOM 344 CB GLN A 75 -1.553 11.733 -0.762 1.00 0.00 C ATOM 345 CG GLN A 75 -2.833 12.350 -1.303 1.00 0.00 C ATOM 346 CD GLN A 75 -2.575 13.588 -2.139 1.00 0.00 C ATOM 347 OE1 GLN A 75 -2.368 13.502 -3.350 1.00 0.00 O ATOM 348 NE2 GLN A 75 -2.587 14.750 -1.496 1.00 0.00 N ATOM 0 H GLN A 75 -2.037 9.567 -1.989 1.00 0.00 H new ATOM 0 HA GLN A 75 -0.404 11.913 -2.568 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -1.810 10.953 -0.045 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -0.994 12.494 -0.218 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -3.361 11.612 -1.907 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -3.488 12.608 -0.471 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -2.763 14.775 -0.492 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -2.421 15.617 -2.007 1.00 0.00 H new ATOM 357 N VAL A 76 1.747 10.808 -1.933 1.00 0.00 N ATOM 358 CA VAL A 76 3.048 10.360 -1.450 1.00 0.00 C ATOM 359 C VAL A 76 3.671 11.390 -0.515 1.00 0.00 C ATOM 360 O VAL A 76 3.909 12.534 -0.905 1.00 0.00 O ATOM 361 CB VAL A 76 4.016 10.089 -2.617 1.00 0.00 C ATOM 362 CG1 VAL A 76 5.401 9.741 -2.092 1.00 0.00 C ATOM 363 CG2 VAL A 76 3.480 8.979 -3.507 1.00 0.00 C ATOM 0 H VAL A 76 1.771 11.269 -2.842 1.00 0.00 H new ATOM 0 HA VAL A 76 2.881 9.432 -0.903 1.00 0.00 H new ATOM 0 HB VAL A 76 4.098 10.996 -3.216 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.071 9.553 -2.931 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.785 10.572 -1.500 1.00 0.00 H new ATOM 0 HG13 VAL A 76 5.340 8.849 -1.469 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.177 8.801 -4.326 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.367 8.066 -2.922 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.512 9.273 -3.912 1.00 0.00 H new ATOM 373 N ASP A 77 3.934 10.977 0.720 1.00 0.00 N ATOM 374 CA ASP A 77 4.532 11.864 1.711 1.00 0.00 C ATOM 375 C ASP A 77 6.016 11.558 1.889 1.00 0.00 C ATOM 376 O ASP A 77 6.453 11.158 2.968 1.00 0.00 O ATOM 377 CB ASP A 77 3.807 11.728 3.051 1.00 0.00 C ATOM 378 CG ASP A 77 3.872 12.999 3.876 1.00 0.00 C ATOM 379 OD1 ASP A 77 3.684 14.090 3.299 1.00 0.00 O ATOM 380 OD2 ASP A 77 4.112 12.902 5.098 1.00 0.00 O ATOM 0 H ASP A 77 3.743 10.034 1.059 1.00 0.00 H new ATOM 0 HA ASP A 77 4.431 12.889 1.354 1.00 0.00 H new ATOM 0 HB2 ASP A 77 2.764 11.468 2.872 1.00 0.00 H new ATOM 0 HB3 ASP A 77 4.247 10.908 3.618 1.00 0.00 H new ATOM 385 N TYR A 78 6.785 11.748 0.823 1.00 0.00 N ATOM 386 CA TYR A 78 8.220 11.489 0.860 1.00 0.00 C ATOM 387 C TYR A 78 8.810 11.887 2.209 1.00 0.00 C ATOM 388 O TYR A 78 9.679 11.199 2.746 1.00 0.00 O ATOM 389 CB TYR A 78 8.926 12.252 -0.263 1.00 0.00 C ATOM 390 CG TYR A 78 8.348 11.983 -1.634 1.00 0.00 C ATOM 391 CD1 TYR A 78 8.661 10.819 -2.325 1.00 0.00 C ATOM 392 CD2 TYR A 78 7.488 12.892 -2.237 1.00 0.00 C ATOM 393 CE1 TYR A 78 8.136 10.570 -3.578 1.00 0.00 C ATOM 394 CE2 TYR A 78 6.957 12.651 -3.489 1.00 0.00 C ATOM 395 CZ TYR A 78 7.284 11.488 -4.156 1.00 0.00 C ATOM 396 OH TYR A 78 6.758 11.243 -5.404 1.00 0.00 O ATOM 0 H TYR A 78 6.439 12.080 -0.077 1.00 0.00 H new ATOM 0 HA TYR A 78 8.375 10.420 0.717 1.00 0.00 H new ATOM 0 HB2 TYR A 78 8.868 13.321 -0.057 1.00 0.00 H new ATOM 0 HB3 TYR A 78 9.983 11.984 -0.264 1.00 0.00 H new ATOM 0 HD1 TYR A 78 9.326 10.097 -1.875 1.00 0.00 H new ATOM 0 HD2 TYR A 78 7.230 13.803 -1.718 1.00 0.00 H new ATOM 0 HE1 TYR A 78 8.391 9.661 -4.103 1.00 0.00 H new ATOM 0 HE2 TYR A 78 6.290 13.369 -3.943 1.00 0.00 H new ATOM 0 HH TYR A 78 6.177 11.987 -5.666 1.00 0.00 H new ATOM 406 N ARG A 79 8.332 13.001 2.752 1.00 0.00 N ATOM 407 CA ARG A 79 8.812 13.492 4.039 1.00 0.00 C ATOM 408 C ARG A 79 8.692 12.413 5.111 1.00 0.00 C ATOM 409 O ARG A 79 9.654 12.120 5.821 1.00 0.00 O ATOM 410 CB ARG A 79 8.025 14.734 4.460 1.00 0.00 C ATOM 411 CG ARG A 79 8.577 16.029 3.886 1.00 0.00 C ATOM 412 CD ARG A 79 7.706 17.219 4.256 1.00 0.00 C ATOM 413 NE ARG A 79 8.432 18.482 4.153 1.00 0.00 N ATOM 414 CZ ARG A 79 7.840 19.671 4.153 1.00 0.00 C ATOM 415 NH1 ARG A 79 6.521 19.760 4.251 1.00 0.00 N ATOM 416 NH2 ARG A 79 8.569 20.776 4.055 1.00 0.00 N ATOM 0 H ARG A 79 7.612 13.581 2.321 1.00 0.00 H new ATOM 0 HA ARG A 79 9.864 13.756 3.930 1.00 0.00 H new ATOM 0 HB2 ARG A 79 6.988 14.620 4.145 1.00 0.00 H new ATOM 0 HB3 ARG A 79 8.023 14.801 5.548 1.00 0.00 H new ATOM 0 HG2 ARG A 79 9.590 16.189 4.256 1.00 0.00 H new ATOM 0 HG3 ARG A 79 8.643 15.948 2.801 1.00 0.00 H new ATOM 0 HD2 ARG A 79 6.834 17.248 3.602 1.00 0.00 H new ATOM 0 HD3 ARG A 79 7.337 17.095 5.274 1.00 0.00 H new ATOM 0 HE ARG A 79 9.449 18.449 4.077 1.00 0.00 H new ATOM 0 HH11 ARG A 79 5.957 18.914 4.327 1.00 0.00 H new ATOM 0 HH12 ARG A 79 6.070 20.675 4.251 1.00 0.00 H new ATOM 0 HH21 ARG A 79 9.584 20.712 3.980 1.00 0.00 H new ATOM 0 HH22 ARG A 79 8.114 21.689 4.055 1.00 0.00 H new ATOM 430 N ALA A 80 7.505 11.826 5.223 1.00 0.00 N ATOM 431 CA ALA A 80 7.261 10.779 6.207 1.00 0.00 C ATOM 432 C ALA A 80 7.307 9.398 5.562 1.00 0.00 C ATOM 433 O ALA A 80 6.727 8.441 6.076 1.00 0.00 O ATOM 434 CB ALA A 80 5.919 10.999 6.890 1.00 0.00 C ATOM 0 H ALA A 80 6.698 12.058 4.644 1.00 0.00 H new ATOM 0 HA ALA A 80 8.051 10.828 6.957 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.750 10.210 7.622 1.00 0.00 H new ATOM 0 HB2 ALA A 80 5.921 11.966 7.393 1.00 0.00 H new ATOM 0 HB3 ALA A 80 5.124 10.979 6.145 1.00 0.00 H new ATOM 440 N LYS A 81 8.001 9.300 4.432 1.00 0.00 N ATOM 441 CA LYS A 81 8.124 8.036 3.717 1.00 0.00 C ATOM 442 C LYS A 81 6.829 7.234 3.801 1.00 0.00 C ATOM 443 O LYS A 81 6.848 6.030 4.062 1.00 0.00 O ATOM 444 CB LYS A 81 9.283 7.214 4.286 1.00 0.00 C ATOM 445 CG LYS A 81 10.650 7.814 4.005 1.00 0.00 C ATOM 446 CD LYS A 81 11.768 6.865 4.401 1.00 0.00 C ATOM 447 CE LYS A 81 13.095 7.279 3.785 1.00 0.00 C ATOM 448 NZ LYS A 81 14.142 6.236 3.969 1.00 0.00 N ATOM 0 H LYS A 81 8.487 10.082 3.992 1.00 0.00 H new ATOM 0 HA LYS A 81 8.325 8.259 2.669 1.00 0.00 H new ATOM 0 HB2 LYS A 81 9.153 7.116 5.364 1.00 0.00 H new ATOM 0 HB3 LYS A 81 9.244 6.208 3.868 1.00 0.00 H new ATOM 0 HG2 LYS A 81 10.733 8.052 2.945 1.00 0.00 H new ATOM 0 HG3 LYS A 81 10.756 8.751 4.552 1.00 0.00 H new ATOM 0 HD2 LYS A 81 11.861 6.843 5.487 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.518 5.853 4.082 1.00 0.00 H new ATOM 0 HE2 LYS A 81 12.957 7.471 2.721 1.00 0.00 H new ATOM 0 HE3 LYS A 81 13.429 8.213 4.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 15.031 6.556 3.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 14.292 6.070 4.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 13.835 5.352 3.516 1.00 0.00 H new ATOM 462 N LEU A 82 5.706 7.908 3.578 1.00 0.00 N ATOM 463 CA LEU A 82 4.401 7.258 3.627 1.00 0.00 C ATOM 464 C LEU A 82 3.480 7.803 2.541 1.00 0.00 C ATOM 465 O LEU A 82 3.268 9.011 2.442 1.00 0.00 O ATOM 466 CB LEU A 82 3.761 7.457 5.002 1.00 0.00 C ATOM 467 CG LEU A 82 4.155 6.445 6.079 1.00 0.00 C ATOM 468 CD1 LEU A 82 4.006 7.055 7.464 1.00 0.00 C ATOM 469 CD2 LEU A 82 3.315 5.182 5.956 1.00 0.00 C ATOM 0 H LEU A 82 5.673 8.904 3.362 1.00 0.00 H new ATOM 0 HA LEU A 82 4.547 6.192 3.452 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.017 8.455 5.359 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.678 7.429 4.884 1.00 0.00 H new ATOM 0 HG LEU A 82 5.201 6.177 5.934 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.291 6.321 8.218 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.651 7.930 7.548 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.969 7.353 7.621 1.00 0.00 H new ATOM 0 HD21 LEU A 82 3.609 4.473 6.730 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.261 5.433 6.075 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.473 4.734 4.975 1.00 0.00 H new ATOM 481 N TRP A 83 2.933 6.904 1.730 1.00 0.00 N ATOM 482 CA TRP A 83 2.032 7.295 0.652 1.00 0.00 C ATOM 483 C TRP A 83 0.620 6.781 0.909 1.00 0.00 C ATOM 484 O TRP A 83 0.387 5.573 0.946 1.00 0.00 O ATOM 485 CB TRP A 83 2.546 6.765 -0.688 1.00 0.00 C ATOM 486 CG TRP A 83 2.712 5.276 -0.713 1.00 0.00 C ATOM 487 CD1 TRP A 83 3.806 4.566 -0.308 1.00 0.00 C ATOM 488 CD2 TRP A 83 1.754 4.314 -1.168 1.00 0.00 C ATOM 489 NE1 TRP A 83 3.586 3.221 -0.484 1.00 0.00 N ATOM 490 CE2 TRP A 83 2.334 3.040 -1.009 1.00 0.00 C ATOM 491 CE3 TRP A 83 0.461 4.405 -1.691 1.00 0.00 C ATOM 492 CZ2 TRP A 83 1.666 1.870 -1.357 1.00 0.00 C ATOM 493 CZ3 TRP A 83 -0.201 3.242 -2.037 1.00 0.00 C ATOM 494 CH2 TRP A 83 0.402 1.988 -1.868 1.00 0.00 C ATOM 0 H TRP A 83 3.098 5.900 1.799 1.00 0.00 H new ATOM 0 HA TRP A 83 2.000 8.384 0.615 1.00 0.00 H new ATOM 0 HB2 TRP A 83 1.854 7.060 -1.477 1.00 0.00 H new ATOM 0 HB3 TRP A 83 3.504 7.234 -0.913 1.00 0.00 H new ATOM 0 HD1 TRP A 83 4.711 4.998 0.092 1.00 0.00 H new ATOM 0 HE1 TRP A 83 4.248 2.478 -0.260 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -0.012 5.367 -1.822 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 2.129 0.903 -1.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -1.200 3.300 -2.444 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -0.142 1.097 -2.147 1.00 0.00 H new ATOM 505 N ALA A 84 -0.319 7.704 1.085 1.00 0.00 N ATOM 506 CA ALA A 84 -1.708 7.343 1.337 1.00 0.00 C ATOM 507 C ALA A 84 -2.429 6.996 0.038 1.00 0.00 C ATOM 508 O ALA A 84 -2.157 7.582 -1.010 1.00 0.00 O ATOM 509 CB ALA A 84 -2.427 8.476 2.055 1.00 0.00 C ATOM 0 H ALA A 84 -0.143 8.708 1.058 1.00 0.00 H new ATOM 0 HA ALA A 84 -1.718 6.460 1.975 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -3.464 8.192 2.236 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.933 8.675 3.006 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.400 9.374 1.437 1.00 0.00 H new ATOM 515 N CYS A 85 -3.348 6.040 0.114 1.00 0.00 N ATOM 516 CA CYS A 85 -4.107 5.613 -1.055 1.00 0.00 C ATOM 517 C CYS A 85 -5.080 6.702 -1.499 1.00 0.00 C ATOM 518 O CYS A 85 -5.556 7.492 -0.685 1.00 0.00 O ATOM 519 CB CYS A 85 -4.873 4.324 -0.750 1.00 0.00 C ATOM 520 SG CYS A 85 -5.272 3.330 -2.223 1.00 0.00 S ATOM 0 H CYS A 85 -3.585 5.546 0.974 1.00 0.00 H new ATOM 0 HA CYS A 85 -3.403 5.426 -1.865 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -4.282 3.717 -0.064 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -5.799 4.578 -0.234 1.00 0.00 H new ATOM 525 N ASN A 86 -5.369 6.737 -2.796 1.00 0.00 N ATOM 526 CA ASN A 86 -6.284 7.729 -3.349 1.00 0.00 C ATOM 527 C ASN A 86 -7.713 7.194 -3.378 1.00 0.00 C ATOM 528 O ASN A 86 -8.668 7.954 -3.538 1.00 0.00 O ATOM 529 CB ASN A 86 -5.847 8.126 -4.760 1.00 0.00 C ATOM 530 CG ASN A 86 -6.399 7.193 -5.820 1.00 0.00 C ATOM 531 OD1 ASN A 86 -7.594 7.207 -6.115 1.00 0.00 O ATOM 532 ND2 ASN A 86 -5.528 6.375 -6.399 1.00 0.00 N ATOM 0 H ASN A 86 -4.983 6.090 -3.483 1.00 0.00 H new ATOM 0 HA ASN A 86 -6.257 8.609 -2.707 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -6.178 9.144 -4.967 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.758 8.128 -4.813 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -5.841 5.724 -7.119 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -4.546 6.397 -6.123 1.00 0.00 H new ATOM 539 N PHE A 87 -7.851 5.882 -3.222 1.00 0.00 N ATOM 540 CA PHE A 87 -9.162 5.244 -3.232 1.00 0.00 C ATOM 541 C PHE A 87 -9.626 4.935 -1.811 1.00 0.00 C ATOM 542 O PHE A 87 -10.496 5.617 -1.268 1.00 0.00 O ATOM 543 CB PHE A 87 -9.122 3.957 -4.058 1.00 0.00 C ATOM 544 CG PHE A 87 -8.788 4.185 -5.505 1.00 0.00 C ATOM 545 CD1 PHE A 87 -9.624 4.940 -6.312 1.00 0.00 C ATOM 546 CD2 PHE A 87 -7.639 3.644 -6.058 1.00 0.00 C ATOM 547 CE1 PHE A 87 -9.320 5.150 -7.644 1.00 0.00 C ATOM 548 CE2 PHE A 87 -7.330 3.851 -7.389 1.00 0.00 C ATOM 549 CZ PHE A 87 -8.171 4.606 -8.183 1.00 0.00 C ATOM 0 H PHE A 87 -7.071 5.239 -3.087 1.00 0.00 H new ATOM 0 HA PHE A 87 -9.871 5.936 -3.686 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -8.386 3.280 -3.626 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -10.090 3.461 -3.990 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -10.523 5.369 -5.896 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.977 3.054 -5.442 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -9.981 5.739 -8.263 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.431 3.423 -7.808 1.00 0.00 H new ATOM 0 HZ PHE A 87 -7.930 4.770 -9.223 1.00 0.00 H new ATOM 559 N CYS A 88 -9.040 3.902 -1.215 1.00 0.00 N ATOM 560 CA CYS A 88 -9.393 3.501 0.141 1.00 0.00 C ATOM 561 C CYS A 88 -8.970 4.564 1.151 1.00 0.00 C ATOM 562 O CYS A 88 -9.529 4.654 2.244 1.00 0.00 O ATOM 563 CB CYS A 88 -8.735 2.163 0.486 1.00 0.00 C ATOM 564 SG CYS A 88 -6.953 2.281 0.845 1.00 0.00 S ATOM 0 H CYS A 88 -8.318 3.327 -1.650 1.00 0.00 H new ATOM 0 HA CYS A 88 -10.476 3.390 0.190 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -9.241 1.734 1.351 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -8.882 1.473 -0.345 1.00 0.00 H new ATOM 569 N TYR A 89 -7.979 5.366 0.777 1.00 0.00 N ATOM 570 CA TYR A 89 -7.479 6.421 1.649 1.00 0.00 C ATOM 571 C TYR A 89 -6.786 5.833 2.874 1.00 0.00 C ATOM 572 O TYR A 89 -7.119 6.169 4.010 1.00 0.00 O ATOM 573 CB TYR A 89 -8.625 7.335 2.088 1.00 0.00 C ATOM 574 CG TYR A 89 -8.181 8.736 2.444 1.00 0.00 C ATOM 575 CD1 TYR A 89 -7.449 9.503 1.545 1.00 0.00 C ATOM 576 CD2 TYR A 89 -8.493 9.292 3.678 1.00 0.00 C ATOM 577 CE1 TYR A 89 -7.041 10.783 1.867 1.00 0.00 C ATOM 578 CE2 TYR A 89 -8.090 10.572 4.007 1.00 0.00 C ATOM 579 CZ TYR A 89 -7.363 11.313 3.099 1.00 0.00 C ATOM 580 OH TYR A 89 -6.959 12.588 3.422 1.00 0.00 O ATOM 0 H TYR A 89 -7.506 5.305 -0.125 1.00 0.00 H new ATOM 0 HA TYR A 89 -6.751 7.006 1.088 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -9.362 7.389 1.287 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -9.123 6.891 2.950 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -7.195 9.092 0.579 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -9.060 8.714 4.392 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -6.473 11.366 1.157 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -8.343 10.990 4.970 1.00 0.00 H new ATOM 0 HH TYR A 89 -7.268 12.810 4.325 1.00 0.00 H new ATOM 590 N GLN A 90 -5.820 4.952 2.633 1.00 0.00 N ATOM 591 CA GLN A 90 -5.079 4.316 3.716 1.00 0.00 C ATOM 592 C GLN A 90 -3.580 4.550 3.560 1.00 0.00 C ATOM 593 O GLN A 90 -3.042 4.475 2.456 1.00 0.00 O ATOM 594 CB GLN A 90 -5.373 2.816 3.750 1.00 0.00 C ATOM 595 CG GLN A 90 -4.511 2.050 4.742 1.00 0.00 C ATOM 596 CD GLN A 90 -4.765 2.464 6.177 1.00 0.00 C ATOM 597 OE1 GLN A 90 -5.618 3.309 6.450 1.00 0.00 O ATOM 598 NE2 GLN A 90 -4.024 1.870 7.105 1.00 0.00 N ATOM 0 H GLN A 90 -5.532 4.663 1.698 1.00 0.00 H new ATOM 0 HA GLN A 90 -5.402 4.763 4.656 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -6.423 2.665 4.001 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -5.221 2.402 2.753 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -4.704 0.982 4.636 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -3.460 2.209 4.503 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -3.328 1.175 6.834 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -4.151 2.109 8.089 1.00 0.00 H new ATOM 607 N ARG A 91 -2.911 4.833 4.674 1.00 0.00 N ATOM 608 CA ARG A 91 -1.474 5.078 4.660 1.00 0.00 C ATOM 609 C ARG A 91 -0.699 3.768 4.562 1.00 0.00 C ATOM 610 O ARG A 91 -0.989 2.809 5.277 1.00 0.00 O ATOM 611 CB ARG A 91 -1.054 5.839 5.919 1.00 0.00 C ATOM 612 CG ARG A 91 -1.164 7.349 5.784 1.00 0.00 C ATOM 613 CD ARG A 91 -1.267 8.023 7.143 1.00 0.00 C ATOM 614 NE ARG A 91 0.024 8.081 7.825 1.00 0.00 N ATOM 615 CZ ARG A 91 0.291 8.916 8.822 1.00 0.00 C ATOM 616 NH1 ARG A 91 -0.637 9.760 9.252 1.00 0.00 N ATOM 617 NH2 ARG A 91 1.490 8.909 9.392 1.00 0.00 N ATOM 0 H ARG A 91 -3.341 4.898 5.597 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.242 5.682 3.783 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.673 5.512 6.754 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -0.024 5.579 6.164 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -0.294 7.732 5.251 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -2.040 7.599 5.185 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -1.657 9.033 7.018 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -1.981 7.481 7.763 1.00 0.00 H new ATOM 0 HE ARG A 91 0.760 7.445 7.518 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -1.559 9.769 8.817 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -0.428 10.400 10.018 1.00 0.00 H new ATOM 0 HH21 ARG A 91 2.207 8.262 9.064 1.00 0.00 H new ATOM 0 HH22 ARG A 91 1.694 9.551 10.158 1.00 0.00 H new ATOM 631 N ASN A 92 0.286 3.734 3.671 1.00 0.00 N ATOM 632 CA ASN A 92 1.102 2.541 3.478 1.00 0.00 C ATOM 633 C ASN A 92 2.588 2.880 3.550 1.00 0.00 C ATOM 634 O ASN A 92 3.002 3.978 3.177 1.00 0.00 O ATOM 635 CB ASN A 92 0.781 1.890 2.132 1.00 0.00 C ATOM 636 CG ASN A 92 -0.621 1.313 2.089 1.00 0.00 C ATOM 637 OD1 ASN A 92 -0.893 0.269 2.683 1.00 0.00 O ATOM 638 ND2 ASN A 92 -1.519 1.991 1.383 1.00 0.00 N ATOM 0 H ASN A 92 0.539 4.519 3.071 1.00 0.00 H new ATOM 0 HA ASN A 92 0.869 1.839 4.278 1.00 0.00 H new ATOM 0 HB2 ASN A 92 0.891 2.629 1.338 1.00 0.00 H new ATOM 0 HB3 ASN A 92 1.503 1.098 1.933 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -2.478 1.651 1.317 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -1.249 2.852 0.907 1.00 0.00 H new ATOM 645 N GLN A 93 3.384 1.931 4.031 1.00 0.00 N ATOM 646 CA GLN A 93 4.823 2.130 4.151 1.00 0.00 C ATOM 647 C GLN A 93 5.537 1.731 2.863 1.00 0.00 C ATOM 648 O GLN A 93 5.142 0.778 2.191 1.00 0.00 O ATOM 649 CB GLN A 93 5.375 1.320 5.325 1.00 0.00 C ATOM 650 CG GLN A 93 5.023 1.903 6.685 1.00 0.00 C ATOM 651 CD GLN A 93 4.902 0.842 7.761 1.00 0.00 C ATOM 652 OE1 GLN A 93 5.253 -0.319 7.547 1.00 0.00 O ATOM 653 NE2 GLN A 93 4.404 1.235 8.927 1.00 0.00 N ATOM 0 H GLN A 93 3.057 1.017 4.344 1.00 0.00 H new ATOM 0 HA GLN A 93 5.004 3.189 4.332 1.00 0.00 H new ATOM 0 HB2 GLN A 93 4.992 0.301 5.265 1.00 0.00 H new ATOM 0 HB3 GLN A 93 6.460 1.258 5.235 1.00 0.00 H new ATOM 0 HG2 GLN A 93 5.787 2.624 6.976 1.00 0.00 H new ATOM 0 HG3 GLN A 93 4.082 2.448 6.610 1.00 0.00 H new ATOM 0 HE21 GLN A 93 4.126 2.207 9.061 1.00 0.00 H new ATOM 0 HE22 GLN A 93 4.300 0.565 9.689 1.00 0.00 H new ATOM 662 N PHE A 94 6.591 2.467 2.525 1.00 0.00 N ATOM 663 CA PHE A 94 7.360 2.191 1.317 1.00 0.00 C ATOM 664 C PHE A 94 8.050 0.833 1.409 1.00 0.00 C ATOM 665 O PHE A 94 8.392 0.355 2.491 1.00 0.00 O ATOM 666 CB PHE A 94 8.399 3.290 1.086 1.00 0.00 C ATOM 667 CG PHE A 94 7.842 4.510 0.411 1.00 0.00 C ATOM 668 CD1 PHE A 94 7.278 4.423 -0.852 1.00 0.00 C ATOM 669 CD2 PHE A 94 7.881 5.744 1.039 1.00 0.00 C ATOM 670 CE1 PHE A 94 6.765 5.545 -1.476 1.00 0.00 C ATOM 671 CE2 PHE A 94 7.369 6.869 0.421 1.00 0.00 C ATOM 672 CZ PHE A 94 6.810 6.769 -0.838 1.00 0.00 C ATOM 0 H PHE A 94 6.932 3.259 3.070 1.00 0.00 H new ATOM 0 HA PHE A 94 6.670 2.171 0.474 1.00 0.00 H new ATOM 0 HB2 PHE A 94 8.829 3.580 2.045 1.00 0.00 H new ATOM 0 HB3 PHE A 94 9.212 2.889 0.480 1.00 0.00 H new ATOM 0 HD1 PHE A 94 7.239 3.468 -1.354 1.00 0.00 H new ATOM 0 HD2 PHE A 94 8.317 5.828 2.024 1.00 0.00 H new ATOM 0 HE1 PHE A 94 6.330 5.464 -2.461 1.00 0.00 H new ATOM 0 HE2 PHE A 94 7.406 7.825 0.922 1.00 0.00 H new ATOM 0 HZ PHE A 94 6.409 7.647 -1.323 1.00 0.00 H new ATOM 682 N PRO A 95 8.260 0.196 0.248 1.00 0.00 N ATOM 683 CA PRO A 95 8.911 -1.115 0.171 1.00 0.00 C ATOM 684 C PRO A 95 10.395 -1.047 0.514 1.00 0.00 C ATOM 685 O PRO A 95 10.980 0.030 0.635 1.00 0.00 O ATOM 686 CB PRO A 95 8.719 -1.521 -1.293 1.00 0.00 C ATOM 687 CG PRO A 95 8.572 -0.233 -2.027 1.00 0.00 C ATOM 688 CD PRO A 95 7.879 0.707 -1.080 1.00 0.00 C ATOM 0 HA PRO A 95 8.487 -1.823 0.883 1.00 0.00 H new ATOM 0 HB2 PRO A 95 9.572 -2.091 -1.661 1.00 0.00 H new ATOM 0 HB3 PRO A 95 7.838 -2.150 -1.417 1.00 0.00 H new ATOM 0 HG2 PRO A 95 9.544 0.160 -2.325 1.00 0.00 H new ATOM 0 HG3 PRO A 95 7.990 -0.368 -2.939 1.00 0.00 H new ATOM 0 HD2 PRO A 95 8.207 1.736 -1.224 1.00 0.00 H new ATOM 0 HD3 PRO A 95 6.798 0.694 -1.220 1.00 0.00 H new ATOM 696 N PRO A 96 11.021 -2.222 0.675 1.00 0.00 N ATOM 697 CA PRO A 96 12.446 -2.322 1.006 1.00 0.00 C ATOM 698 C PRO A 96 13.341 -1.892 -0.151 1.00 0.00 C ATOM 699 O PRO A 96 14.405 -1.309 0.058 1.00 0.00 O ATOM 700 CB PRO A 96 12.637 -3.810 1.306 1.00 0.00 C ATOM 701 CG PRO A 96 11.553 -4.493 0.545 1.00 0.00 C ATOM 702 CD PRO A 96 10.386 -3.544 0.546 1.00 0.00 C ATOM 0 HA PRO A 96 12.719 -1.668 1.834 1.00 0.00 H new ATOM 0 HB2 PRO A 96 13.621 -4.155 0.988 1.00 0.00 H new ATOM 0 HB3 PRO A 96 12.558 -4.012 2.374 1.00 0.00 H new ATOM 0 HG2 PRO A 96 11.872 -4.718 -0.473 1.00 0.00 H new ATOM 0 HG3 PRO A 96 11.286 -5.441 1.012 1.00 0.00 H new ATOM 0 HD2 PRO A 96 9.804 -3.622 -0.372 1.00 0.00 H new ATOM 0 HD3 PRO A 96 9.705 -3.745 1.373 1.00 0.00 H new ATOM 710 N SER A 97 12.903 -2.184 -1.372 1.00 0.00 N ATOM 711 CA SER A 97 13.667 -1.830 -2.562 1.00 0.00 C ATOM 712 C SER A 97 12.850 -0.932 -3.486 1.00 0.00 C ATOM 713 O SER A 97 12.042 -1.412 -4.282 1.00 0.00 O ATOM 714 CB SER A 97 14.098 -3.093 -3.311 1.00 0.00 C ATOM 715 OG SER A 97 14.919 -3.913 -2.498 1.00 0.00 O ATOM 0 H SER A 97 12.024 -2.664 -1.562 1.00 0.00 H new ATOM 0 HA SER A 97 14.555 -1.283 -2.244 1.00 0.00 H new ATOM 0 HB2 SER A 97 13.217 -3.652 -3.624 1.00 0.00 H new ATOM 0 HB3 SER A 97 14.638 -2.816 -4.216 1.00 0.00 H new ATOM 0 HG SER A 97 15.179 -4.714 -2.999 1.00 0.00 H new ATOM 721 N TYR A 98 13.065 0.374 -3.373 1.00 0.00 N ATOM 722 CA TYR A 98 12.347 1.341 -4.195 1.00 0.00 C ATOM 723 C TYR A 98 13.317 2.174 -5.027 1.00 0.00 C ATOM 724 O TYR A 98 13.162 3.389 -5.149 1.00 0.00 O ATOM 725 CB TYR A 98 11.495 2.257 -3.315 1.00 0.00 C ATOM 726 CG TYR A 98 12.293 3.011 -2.275 1.00 0.00 C ATOM 727 CD1 TYR A 98 12.593 2.434 -1.047 1.00 0.00 C ATOM 728 CD2 TYR A 98 12.746 4.302 -2.520 1.00 0.00 C ATOM 729 CE1 TYR A 98 13.321 3.119 -0.094 1.00 0.00 C ATOM 730 CE2 TYR A 98 13.476 4.994 -1.573 1.00 0.00 C ATOM 731 CZ TYR A 98 13.761 4.399 -0.362 1.00 0.00 C ATOM 732 OH TYR A 98 14.487 5.085 0.584 1.00 0.00 O ATOM 0 H TYR A 98 13.731 0.787 -2.720 1.00 0.00 H new ATOM 0 HA TYR A 98 11.695 0.791 -4.873 1.00 0.00 H new ATOM 0 HB2 TYR A 98 10.972 2.973 -3.949 1.00 0.00 H new ATOM 0 HB3 TYR A 98 10.733 1.660 -2.814 1.00 0.00 H new ATOM 0 HD1 TYR A 98 12.251 1.432 -0.834 1.00 0.00 H new ATOM 0 HD2 TYR A 98 12.524 4.772 -3.467 1.00 0.00 H new ATOM 0 HE1 TYR A 98 13.545 2.655 0.855 1.00 0.00 H new ATOM 0 HE2 TYR A 98 13.822 5.996 -1.780 1.00 0.00 H new ATOM 0 HH TYR A 98 14.721 5.971 0.238 1.00 0.00 H new ATOM 742 N ALA A 99 14.317 1.511 -5.599 1.00 0.00 N ATOM 743 CA ALA A 99 15.311 2.188 -6.422 1.00 0.00 C ATOM 744 C ALA A 99 15.004 2.015 -7.906 1.00 0.00 C ATOM 745 O ALA A 99 15.064 2.971 -8.678 1.00 0.00 O ATOM 746 CB ALA A 99 16.704 1.666 -6.104 1.00 0.00 C ATOM 0 H ALA A 99 14.460 0.505 -5.507 1.00 0.00 H new ATOM 0 HA ALA A 99 15.274 3.253 -6.192 1.00 0.00 H new ATOM 0 HB1 ALA A 99 17.436 2.181 -6.726 1.00 0.00 H new ATOM 0 HB2 ALA A 99 16.929 1.847 -5.053 1.00 0.00 H new ATOM 0 HB3 ALA A 99 16.746 0.595 -6.305 1.00 0.00 H new ATOM 752 N GLY A 100 14.677 0.788 -8.299 1.00 0.00 N ATOM 753 CA GLY A 100 14.367 0.512 -9.689 1.00 0.00 C ATOM 754 C GLY A 100 12.898 0.713 -10.007 1.00 0.00 C ATOM 755 O GLY A 100 12.302 -0.075 -10.742 1.00 0.00 O ATOM 0 H GLY A 100 14.621 -0.020 -7.679 1.00 0.00 H new ATOM 0 HA2 GLY A 100 14.966 1.162 -10.327 1.00 0.00 H new ATOM 0 HA3 GLY A 100 14.649 -0.514 -9.924 1.00 0.00 H new ATOM 759 N ILE A 101 12.314 1.769 -9.452 1.00 0.00 N ATOM 760 CA ILE A 101 10.906 2.070 -9.680 1.00 0.00 C ATOM 761 C ILE A 101 10.742 3.368 -10.464 1.00 0.00 C ATOM 762 O ILE A 101 11.235 4.419 -10.055 1.00 0.00 O ATOM 763 CB ILE A 101 10.132 2.184 -8.353 1.00 0.00 C ATOM 764 CG1 ILE A 101 10.157 0.848 -7.607 1.00 0.00 C ATOM 765 CG2 ILE A 101 8.700 2.626 -8.612 1.00 0.00 C ATOM 766 CD1 ILE A 101 9.576 0.924 -6.213 1.00 0.00 C ATOM 0 H ILE A 101 12.794 2.430 -8.841 1.00 0.00 H new ATOM 0 HA ILE A 101 10.496 1.243 -10.260 1.00 0.00 H new ATOM 0 HB ILE A 101 10.616 2.936 -7.730 1.00 0.00 H new ATOM 0 HG12 ILE A 101 9.601 0.109 -8.184 1.00 0.00 H new ATOM 0 HG13 ILE A 101 11.186 0.495 -7.544 1.00 0.00 H new ATOM 0 HG21 ILE A 101 8.166 2.702 -7.665 1.00 0.00 H new ATOM 0 HG22 ILE A 101 8.703 3.598 -9.106 1.00 0.00 H new ATOM 0 HG23 ILE A 101 8.204 1.896 -9.251 1.00 0.00 H new ATOM 0 HD11 ILE A 101 9.626 -0.059 -5.744 1.00 0.00 H new ATOM 0 HD12 ILE A 101 10.146 1.639 -5.620 1.00 0.00 H new ATOM 0 HD13 ILE A 101 8.536 1.246 -6.269 1.00 0.00 H new ATOM 778 N SER A 102 10.044 3.287 -11.592 1.00 0.00 N ATOM 779 CA SER A 102 9.815 4.455 -12.436 1.00 0.00 C ATOM 780 C SER A 102 8.892 5.452 -11.743 1.00 0.00 C ATOM 781 O SER A 102 9.140 6.658 -11.760 1.00 0.00 O ATOM 782 CB SER A 102 9.214 4.031 -13.777 1.00 0.00 C ATOM 783 OG SER A 102 10.115 3.216 -14.505 1.00 0.00 O ATOM 0 H SER A 102 9.627 2.425 -11.943 1.00 0.00 H new ATOM 0 HA SER A 102 10.775 4.939 -12.614 1.00 0.00 H new ATOM 0 HB2 SER A 102 8.284 3.488 -13.607 1.00 0.00 H new ATOM 0 HB3 SER A 102 8.964 4.916 -14.363 1.00 0.00 H new ATOM 0 HG SER A 102 9.706 2.957 -15.357 1.00 0.00 H new ATOM 789 N GLU A 103 7.826 4.940 -11.135 1.00 0.00 N ATOM 790 CA GLU A 103 6.865 5.786 -10.438 1.00 0.00 C ATOM 791 C GLU A 103 7.577 6.771 -9.515 1.00 0.00 C ATOM 792 O GLU A 103 7.230 7.952 -9.463 1.00 0.00 O ATOM 793 CB GLU A 103 5.889 4.928 -9.631 1.00 0.00 C ATOM 794 CG GLU A 103 4.785 4.308 -10.471 1.00 0.00 C ATOM 795 CD GLU A 103 4.188 3.071 -9.829 1.00 0.00 C ATOM 796 OE1 GLU A 103 4.313 2.924 -8.595 1.00 0.00 O ATOM 797 OE2 GLU A 103 3.596 2.249 -10.560 1.00 0.00 O ATOM 0 H GLU A 103 7.607 3.944 -11.111 1.00 0.00 H new ATOM 0 HA GLU A 103 6.308 6.352 -11.185 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.444 4.134 -9.132 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.439 5.541 -8.850 1.00 0.00 H new ATOM 0 HG2 GLU A 103 3.998 5.045 -10.631 1.00 0.00 H new ATOM 0 HG3 GLU A 103 5.183 4.048 -11.452 1.00 0.00 H new ATOM 804 N LEU A 104 8.572 6.277 -8.787 1.00 0.00 N ATOM 805 CA LEU A 104 9.333 7.113 -7.865 1.00 0.00 C ATOM 806 C LEU A 104 10.440 7.864 -8.597 1.00 0.00 C ATOM 807 O LEU A 104 10.440 9.093 -8.650 1.00 0.00 O ATOM 808 CB LEU A 104 9.935 6.257 -6.748 1.00 0.00 C ATOM 809 CG LEU A 104 9.036 6.007 -5.536 1.00 0.00 C ATOM 810 CD1 LEU A 104 9.602 4.889 -4.674 1.00 0.00 C ATOM 811 CD2 LEU A 104 8.874 7.282 -4.721 1.00 0.00 C ATOM 0 H LEU A 104 8.871 5.302 -8.817 1.00 0.00 H new ATOM 0 HA LEU A 104 8.651 7.843 -7.429 1.00 0.00 H new ATOM 0 HB2 LEU A 104 10.219 5.293 -7.169 1.00 0.00 H new ATOM 0 HB3 LEU A 104 10.851 6.737 -6.403 1.00 0.00 H new ATOM 0 HG LEU A 104 8.053 5.700 -5.893 1.00 0.00 H new ATOM 0 HD11 LEU A 104 8.950 4.725 -3.816 1.00 0.00 H new ATOM 0 HD12 LEU A 104 9.666 3.973 -5.262 1.00 0.00 H new ATOM 0 HD13 LEU A 104 10.597 5.167 -4.325 1.00 0.00 H new ATOM 0 HD21 LEU A 104 8.231 7.086 -3.863 1.00 0.00 H new ATOM 0 HD22 LEU A 104 9.851 7.618 -4.374 1.00 0.00 H new ATOM 0 HD23 LEU A 104 8.423 8.056 -5.342 1.00 0.00 H new ATOM 823 N ASN A 105 11.382 7.116 -9.163 1.00 0.00 N ATOM 824 CA ASN A 105 12.495 7.711 -9.895 1.00 0.00 C ATOM 825 C ASN A 105 12.006 8.826 -10.815 1.00 0.00 C ATOM 826 O ASN A 105 12.497 9.952 -10.755 1.00 0.00 O ATOM 827 CB ASN A 105 13.225 6.643 -10.711 1.00 0.00 C ATOM 828 CG ASN A 105 14.026 7.237 -11.854 1.00 0.00 C ATOM 829 OD1 ASN A 105 13.506 7.444 -12.950 1.00 0.00 O ATOM 830 ND2 ASN A 105 15.301 7.512 -11.601 1.00 0.00 N ATOM 0 H ASN A 105 11.397 6.097 -9.129 1.00 0.00 H new ATOM 0 HA ASN A 105 13.187 8.140 -9.170 1.00 0.00 H new ATOM 0 HB2 ASN A 105 13.892 6.082 -10.056 1.00 0.00 H new ATOM 0 HB3 ASN A 105 12.499 5.934 -11.109 1.00 0.00 H new ATOM 0 HD21 ASN A 105 15.891 7.912 -12.331 1.00 0.00 H new ATOM 0 HD22 ASN A 105 15.690 7.324 -10.677 1.00 0.00 H new ATOM 837 N GLN A 106 11.036 8.501 -11.664 1.00 0.00 N ATOM 838 CA GLN A 106 10.482 9.475 -12.597 1.00 0.00 C ATOM 839 C GLN A 106 9.406 10.322 -11.925 1.00 0.00 C ATOM 840 O GLN A 106 8.684 9.863 -11.040 1.00 0.00 O ATOM 841 CB GLN A 106 9.898 8.766 -13.820 1.00 0.00 C ATOM 842 CG GLN A 106 10.920 7.950 -14.595 1.00 0.00 C ATOM 843 CD GLN A 106 10.590 7.852 -16.072 1.00 0.00 C ATOM 844 OE1 GLN A 106 9.422 7.788 -16.456 1.00 0.00 O ATOM 845 NE2 GLN A 106 11.621 7.842 -16.909 1.00 0.00 N ATOM 0 H GLN A 106 10.618 7.572 -11.725 1.00 0.00 H new ATOM 0 HA GLN A 106 11.290 10.133 -12.918 1.00 0.00 H new ATOM 0 HB2 GLN A 106 9.090 8.109 -13.498 1.00 0.00 H new ATOM 0 HB3 GLN A 106 9.459 9.509 -14.485 1.00 0.00 H new ATOM 0 HG2 GLN A 106 11.905 8.401 -14.476 1.00 0.00 H new ATOM 0 HG3 GLN A 106 10.975 6.947 -14.172 1.00 0.00 H new ATOM 0 HE21 GLN A 106 12.573 7.897 -16.546 1.00 0.00 H new ATOM 0 HE22 GLN A 106 11.461 7.779 -17.914 1.00 0.00 H new ATOM 854 N PRO A 107 9.296 11.589 -12.352 1.00 0.00 N ATOM 855 CA PRO A 107 8.311 12.526 -11.805 1.00 0.00 C ATOM 856 C PRO A 107 6.884 12.165 -12.201 1.00 0.00 C ATOM 857 O PRO A 107 6.657 11.537 -13.235 1.00 0.00 O ATOM 858 CB PRO A 107 8.715 13.867 -12.423 1.00 0.00 C ATOM 859 CG PRO A 107 9.425 13.504 -13.682 1.00 0.00 C ATOM 860 CD PRO A 107 10.124 12.203 -13.403 1.00 0.00 C ATOM 0 HA PRO A 107 8.311 12.526 -10.715 1.00 0.00 H new ATOM 0 HB2 PRO A 107 7.843 14.489 -12.625 1.00 0.00 H new ATOM 0 HB3 PRO A 107 9.362 14.433 -11.753 1.00 0.00 H new ATOM 0 HG2 PRO A 107 8.723 13.400 -14.510 1.00 0.00 H new ATOM 0 HG3 PRO A 107 10.139 14.278 -13.964 1.00 0.00 H new ATOM 0 HD2 PRO A 107 10.175 11.575 -14.293 1.00 0.00 H new ATOM 0 HD3 PRO A 107 11.148 12.362 -13.066 1.00 0.00 H new ATOM 868 N ALA A 108 5.925 12.567 -11.373 1.00 0.00 N ATOM 869 CA ALA A 108 4.519 12.287 -11.640 1.00 0.00 C ATOM 870 C ALA A 108 4.140 12.687 -13.062 1.00 0.00 C ATOM 871 O ALA A 108 4.346 13.828 -13.472 1.00 0.00 O ATOM 872 CB ALA A 108 3.638 13.011 -10.633 1.00 0.00 C ATOM 0 H ALA A 108 6.096 13.087 -10.512 1.00 0.00 H new ATOM 0 HA ALA A 108 4.361 11.213 -11.539 1.00 0.00 H new ATOM 0 HB1 ALA A 108 2.591 12.794 -10.843 1.00 0.00 H new ATOM 0 HB2 ALA A 108 3.883 12.674 -9.626 1.00 0.00 H new ATOM 0 HB3 ALA A 108 3.808 14.085 -10.707 1.00 0.00 H new TER 878 ALA A 108 HETATM 879 ZN ZN A 200 -5.895 1.392 -1.052 1.00 0.00 ZN