USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 579 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 42 MET CE :methyl -169:sc= -0.926 (180deg=-0.257) USER MOD Set 1.2: A 44 ASN : amide:sc= -3.98 K(o=-4.9,f=-9.4!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= -3.27! X(o=-3.3!,f=-3.3) USER MOD Single : A 23 THR OG1 : rot 86:sc= -4.05! USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 60:sc= -0.559 USER MOD Single : A 37 SER OG : rot 180:sc= -0.108 USER MOD Single : A 40 MET CE :methyl 165:sc=-0.00959 (180deg=-0.449) USER MOD Single : A 41 MET CE :methyl 180:sc= -8.57! (180deg=-8.57!) USER MOD Single : A 43 LYS NZ :NH3+ -129:sc= 0.555 (180deg=-1.16) USER MOD Single : A 46 MET CE :methyl 164:sc= -0.0173 (180deg=-0.266) USER MOD Single : A 52 GLN : amide:sc= 0.00871 X(o=0.0087,f=-0.062) USER MOD Single : A 64 HIS : no HE2:sc= -5.56! C(o=-5.6!,f=-5.3!) USER MOD Single : A 65 ASN : amide:sc= -5.74! C(o=-5.7!,f=-6.8!) USER MOD Single : A 66 THR OG1 : rot -45:sc= -0.0209 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 150:sc= -0.585 USER MOD Single : A 78 HIS : no HD1:sc= -3.32! C(o=-3.3!,f=-3.6!) USER MOD Single : A 79 GLN :FLIP amide:sc= -0.134 F(o=-0.66,f=-0.13) USER MOD Single : A 81 SER OG : rot 180:sc= 0.11 USER MOD Single : A 83 ASN : amide:sc= 0.599 K(o=0.6,f=-0.095) USER MOD Single : A 85 SER OG : rot -64:sc= -4.19! USER MOD ----------------------------------------------------------------- ATOM 15 N ASP A 4 -5.973 25.211 -9.805 1.00 0.00 N ATOM 16 CA ASP A 4 -4.793 24.459 -10.210 1.00 0.00 C ATOM 17 C ASP A 4 -3.603 24.795 -9.318 1.00 0.00 C ATOM 18 O ASP A 4 -2.737 25.587 -9.691 1.00 0.00 O ATOM 19 CB ASP A 4 -4.448 24.753 -11.671 1.00 0.00 C ATOM 20 CG ASP A 4 -3.416 23.790 -12.226 1.00 0.00 C ATOM 21 OD1 ASP A 4 -2.990 22.882 -11.481 1.00 0.00 O ATOM 22 OD2 ASP A 4 -3.035 23.944 -13.405 1.00 0.00 O ATOM 0 HA ASP A 4 -5.017 23.397 -10.105 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -5.354 24.697 -12.274 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -4.072 25.773 -11.755 1.00 0.00 H new ATOM 27 N ILE A 5 -3.570 24.190 -8.137 1.00 0.00 N ATOM 28 CA ILE A 5 -2.492 24.423 -7.188 1.00 0.00 C ATOM 29 C ILE A 5 -1.344 23.437 -7.414 1.00 0.00 C ATOM 30 O ILE A 5 -1.435 22.555 -8.266 1.00 0.00 O ATOM 31 CB ILE A 5 -3.011 24.326 -5.731 1.00 0.00 C ATOM 32 CG1 ILE A 5 -2.359 25.404 -4.867 1.00 0.00 C ATOM 33 CG2 ILE A 5 -2.777 22.942 -5.140 1.00 0.00 C ATOM 34 CD1 ILE A 5 -2.456 26.786 -5.471 1.00 0.00 C ATOM 0 H ILE A 5 -4.280 23.533 -7.814 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.113 25.432 -7.351 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.088 24.491 -5.747 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -2.832 25.409 -3.885 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -1.309 25.153 -4.714 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.154 22.914 -4.118 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.300 22.197 -5.740 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -1.709 22.723 -5.139 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.975 27.507 -4.810 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.959 26.795 -6.441 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -3.505 27.055 -5.598 1.00 0.00 H new ATOM 46 N ASP A 6 -0.266 23.599 -6.656 1.00 0.00 N ATOM 47 CA ASP A 6 0.894 22.724 -6.787 1.00 0.00 C ATOM 48 C ASP A 6 0.622 21.350 -6.184 1.00 0.00 C ATOM 49 O ASP A 6 0.886 20.323 -6.809 1.00 0.00 O ATOM 50 CB ASP A 6 2.114 23.354 -6.113 1.00 0.00 C ATOM 51 CG ASP A 6 3.324 22.439 -6.138 1.00 0.00 C ATOM 52 OD1 ASP A 6 3.164 21.233 -5.856 1.00 0.00 O ATOM 53 OD2 ASP A 6 4.432 22.931 -6.440 1.00 0.00 O ATOM 0 H ASP A 6 -0.170 24.325 -5.946 1.00 0.00 H new ATOM 0 HA ASP A 6 1.096 22.597 -7.851 1.00 0.00 H new ATOM 0 HB2 ASP A 6 2.359 24.291 -6.614 1.00 0.00 H new ATOM 0 HB3 ASP A 6 1.869 23.600 -5.080 1.00 0.00 H new ATOM 58 N GLU A 7 0.104 21.341 -4.964 1.00 0.00 N ATOM 59 CA GLU A 7 -0.194 20.097 -4.264 1.00 0.00 C ATOM 60 C GLU A 7 1.092 19.409 -3.821 1.00 0.00 C ATOM 61 O GLU A 7 1.284 19.134 -2.637 1.00 0.00 O ATOM 62 CB GLU A 7 -1.010 19.160 -5.156 1.00 0.00 C ATOM 63 CG GLU A 7 -2.299 19.778 -5.681 1.00 0.00 C ATOM 64 CD GLU A 7 -2.171 20.260 -7.113 1.00 0.00 C ATOM 65 OE1 GLU A 7 -1.194 19.869 -7.785 1.00 0.00 O ATOM 66 OE2 GLU A 7 -3.049 21.025 -7.564 1.00 0.00 O ATOM 0 H GLU A 7 -0.120 22.184 -4.436 1.00 0.00 H new ATOM 0 HA GLU A 7 -0.783 20.338 -3.379 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -0.395 18.852 -6.002 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -1.253 18.259 -4.594 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -3.102 19.043 -5.619 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -2.583 20.615 -5.043 1.00 0.00 H new ATOM 73 N CYS A 8 1.976 19.140 -4.778 1.00 0.00 N ATOM 74 CA CYS A 8 3.247 18.493 -4.481 1.00 0.00 C ATOM 75 C CYS A 8 4.084 19.369 -3.555 1.00 0.00 C ATOM 76 O CYS A 8 4.955 18.879 -2.837 1.00 0.00 O ATOM 77 CB CYS A 8 4.017 18.210 -5.772 1.00 0.00 C ATOM 78 SG CYS A 8 3.201 17.012 -6.874 1.00 0.00 S ATOM 0 H CYS A 8 1.834 19.360 -5.764 1.00 0.00 H new ATOM 0 HA CYS A 8 3.043 17.546 -3.981 1.00 0.00 H new ATOM 0 HB2 CYS A 8 4.158 19.147 -6.311 1.00 0.00 H new ATOM 0 HB3 CYS A 8 5.009 17.836 -5.517 1.00 0.00 H new ATOM 83 N ARG A 9 3.806 20.668 -3.577 1.00 0.00 N ATOM 84 CA ARG A 9 4.524 21.618 -2.740 1.00 0.00 C ATOM 85 C ARG A 9 4.170 21.413 -1.272 1.00 0.00 C ATOM 86 O ARG A 9 4.987 21.664 -0.384 1.00 0.00 O ATOM 87 CB ARG A 9 4.199 23.052 -3.162 1.00 0.00 C ATOM 88 CG ARG A 9 5.370 23.779 -3.802 1.00 0.00 C ATOM 89 CD ARG A 9 5.940 24.841 -2.877 1.00 0.00 C ATOM 90 NE ARG A 9 6.436 26.001 -3.614 1.00 0.00 N ATOM 91 CZ ARG A 9 7.317 26.865 -3.121 1.00 0.00 C ATOM 92 NH1 ARG A 9 7.796 26.699 -1.895 1.00 0.00 N ATOM 93 NH2 ARG A 9 7.721 27.894 -3.854 1.00 0.00 N ATOM 0 H ARG A 9 3.087 21.086 -4.167 1.00 0.00 H new ATOM 0 HA ARG A 9 5.593 21.447 -2.868 1.00 0.00 H new ATOM 0 HB2 ARG A 9 3.365 23.035 -3.864 1.00 0.00 H new ATOM 0 HB3 ARG A 9 3.868 23.613 -2.288 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.150 23.061 -4.057 1.00 0.00 H new ATOM 0 HG3 ARG A 9 5.046 24.243 -4.734 1.00 0.00 H new ATOM 0 HD2 ARG A 9 5.170 25.160 -2.174 1.00 0.00 H new ATOM 0 HD3 ARG A 9 6.751 24.412 -2.289 1.00 0.00 H new ATOM 0 HE ARG A 9 6.087 26.156 -4.560 1.00 0.00 H new ATOM 0 HH11 ARG A 9 7.488 25.908 -1.330 1.00 0.00 H new ATOM 0 HH12 ARG A 9 8.472 27.363 -1.517 1.00 0.00 H new ATOM 0 HH21 ARG A 9 7.355 28.023 -4.797 1.00 0.00 H new ATOM 0 HH22 ARG A 9 8.397 28.556 -3.474 1.00 0.00 H new ATOM 107 N ILE A 10 2.947 20.953 -1.022 1.00 0.00 N ATOM 108 CA ILE A 10 2.489 20.711 0.337 1.00 0.00 C ATOM 109 C ILE A 10 3.515 19.902 1.120 1.00 0.00 C ATOM 110 O ILE A 10 3.778 20.178 2.291 1.00 0.00 O ATOM 111 CB ILE A 10 1.141 19.962 0.347 1.00 0.00 C ATOM 112 CG1 ILE A 10 0.020 20.883 -0.138 1.00 0.00 C ATOM 113 CG2 ILE A 10 0.834 19.428 1.739 1.00 0.00 C ATOM 114 CD1 ILE A 10 -0.394 21.920 0.880 1.00 0.00 C ATOM 0 H ILE A 10 2.258 20.741 -1.744 1.00 0.00 H new ATOM 0 HA ILE A 10 2.358 21.684 0.811 1.00 0.00 H new ATOM 0 HB ILE A 10 1.211 19.113 -0.334 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.344 21.388 -1.048 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.848 20.278 -0.401 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.121 18.903 1.725 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.622 18.740 2.047 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.781 20.258 2.444 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -1.192 22.537 0.467 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -0.749 21.422 1.782 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.461 22.550 1.126 1.00 0.00 H new ATOM 126 N SER A 11 4.087 18.900 0.466 1.00 0.00 N ATOM 127 CA SER A 11 5.081 18.046 1.100 1.00 0.00 C ATOM 128 C SER A 11 5.899 17.288 0.059 1.00 0.00 C ATOM 129 O SER A 11 5.448 17.078 -1.068 1.00 0.00 O ATOM 130 CB SER A 11 4.396 17.057 2.043 1.00 0.00 C ATOM 131 OG SER A 11 5.042 17.022 3.304 1.00 0.00 O ATOM 0 H SER A 11 3.879 18.659 -0.503 1.00 0.00 H new ATOM 0 HA SER A 11 5.759 18.681 1.671 1.00 0.00 H new ATOM 0 HB2 SER A 11 3.351 17.339 2.174 1.00 0.00 H new ATOM 0 HB3 SER A 11 4.404 16.061 1.599 1.00 0.00 H new ATOM 0 HG SER A 11 4.583 16.383 3.889 1.00 0.00 H new ATOM 137 N PRO A 12 7.116 16.863 0.430 1.00 0.00 N ATOM 138 CA PRO A 12 8.009 16.123 -0.447 1.00 0.00 C ATOM 139 C PRO A 12 7.747 14.626 -0.379 1.00 0.00 C ATOM 140 O PRO A 12 8.145 13.869 -1.266 1.00 0.00 O ATOM 141 CB PRO A 12 9.404 16.447 0.108 1.00 0.00 C ATOM 142 CG PRO A 12 9.187 17.179 1.403 1.00 0.00 C ATOM 143 CD PRO A 12 7.725 17.062 1.740 1.00 0.00 C ATOM 0 HA PRO A 12 7.883 16.397 -1.494 1.00 0.00 H new ATOM 0 HB2 PRO A 12 9.979 15.535 0.269 1.00 0.00 H new ATOM 0 HB3 PRO A 12 9.969 17.060 -0.595 1.00 0.00 H new ATOM 0 HG2 PRO A 12 9.800 16.749 2.195 1.00 0.00 H new ATOM 0 HG3 PRO A 12 9.477 18.225 1.307 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.528 16.225 2.411 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.348 17.959 2.231 1.00 0.00 H new ATOM 151 N ASP A 13 7.066 14.208 0.683 1.00 0.00 N ATOM 152 CA ASP A 13 6.737 12.803 0.879 1.00 0.00 C ATOM 153 C ASP A 13 5.254 12.568 0.630 1.00 0.00 C ATOM 154 O ASP A 13 4.682 11.584 1.096 1.00 0.00 O ATOM 155 CB ASP A 13 7.108 12.362 2.295 1.00 0.00 C ATOM 156 CG ASP A 13 7.991 11.130 2.304 1.00 0.00 C ATOM 157 OD1 ASP A 13 8.090 10.463 1.253 1.00 0.00 O ATOM 158 OD2 ASP A 13 8.585 10.832 3.362 1.00 0.00 O ATOM 0 H ASP A 13 6.731 14.825 1.423 1.00 0.00 H new ATOM 0 HA ASP A 13 7.311 12.211 0.166 1.00 0.00 H new ATOM 0 HB2 ASP A 13 7.622 13.178 2.804 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.198 12.158 2.859 1.00 0.00 H new ATOM 163 N LEU A 14 4.638 13.487 -0.105 1.00 0.00 N ATOM 164 CA LEU A 14 3.216 13.387 -0.420 1.00 0.00 C ATOM 165 C LEU A 14 2.854 11.977 -0.871 1.00 0.00 C ATOM 166 O LEU A 14 1.796 11.454 -0.521 1.00 0.00 O ATOM 167 CB LEU A 14 2.846 14.392 -1.509 1.00 0.00 C ATOM 168 CG LEU A 14 1.756 15.391 -1.122 1.00 0.00 C ATOM 169 CD1 LEU A 14 2.066 16.761 -1.694 1.00 0.00 C ATOM 170 CD2 LEU A 14 0.396 14.910 -1.604 1.00 0.00 C ATOM 0 H LEU A 14 5.100 14.309 -0.494 1.00 0.00 H new ATOM 0 HA LEU A 14 2.652 13.614 0.485 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.742 14.945 -1.791 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.519 13.844 -2.392 1.00 0.00 H new ATOM 0 HG LEU A 14 1.729 15.467 -0.035 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.280 17.461 -1.409 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.022 17.110 -1.304 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.119 16.698 -2.781 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.368 15.634 -1.319 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.411 14.805 -2.689 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.169 13.946 -1.150 1.00 0.00 H new ATOM 182 N CYS A 15 3.738 11.369 -1.654 1.00 0.00 N ATOM 183 CA CYS A 15 3.517 10.020 -2.161 1.00 0.00 C ATOM 184 C CYS A 15 3.905 8.969 -1.125 1.00 0.00 C ATOM 185 O CYS A 15 3.729 7.771 -1.346 1.00 0.00 O ATOM 186 CB CYS A 15 4.321 9.805 -3.442 1.00 0.00 C ATOM 187 SG CYS A 15 3.761 10.823 -4.842 1.00 0.00 S ATOM 0 H CYS A 15 4.617 11.791 -1.952 1.00 0.00 H new ATOM 0 HA CYS A 15 2.454 9.911 -2.376 1.00 0.00 H new ATOM 0 HB2 CYS A 15 5.370 10.024 -3.242 1.00 0.00 H new ATOM 0 HB3 CYS A 15 4.263 8.754 -3.724 1.00 0.00 H new ATOM 192 N GLY A 16 4.440 9.425 0.001 1.00 0.00 N ATOM 193 CA GLY A 16 4.849 8.511 1.051 1.00 0.00 C ATOM 194 C GLY A 16 5.854 7.481 0.568 1.00 0.00 C ATOM 195 O GLY A 16 6.109 6.490 1.253 1.00 0.00 O ATOM 0 H GLY A 16 4.598 10.412 0.206 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.283 9.079 1.874 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.971 8.000 1.445 1.00 0.00 H new ATOM 199 N ARG A 17 6.424 7.716 -0.611 1.00 0.00 N ATOM 200 CA ARG A 17 7.404 6.800 -1.182 1.00 0.00 C ATOM 201 C ARG A 17 7.779 7.221 -2.600 1.00 0.00 C ATOM 202 O ARG A 17 8.955 7.407 -2.913 1.00 0.00 O ATOM 203 CB ARG A 17 6.854 5.372 -1.195 1.00 0.00 C ATOM 204 CG ARG A 17 7.900 4.316 -0.879 1.00 0.00 C ATOM 205 CD ARG A 17 8.144 4.202 0.617 1.00 0.00 C ATOM 206 NE ARG A 17 9.018 3.079 0.945 1.00 0.00 N ATOM 207 CZ ARG A 17 10.309 3.038 0.635 1.00 0.00 C ATOM 208 NH1 ARG A 17 10.873 4.051 -0.008 1.00 0.00 N ATOM 209 NH2 ARG A 17 11.039 1.982 0.968 1.00 0.00 N ATOM 0 H ARG A 17 6.223 8.533 -1.188 1.00 0.00 H new ATOM 0 HA ARG A 17 8.299 6.833 -0.560 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.043 5.297 -0.470 1.00 0.00 H new ATOM 0 HB3 ARG A 17 6.425 5.165 -2.176 1.00 0.00 H new ATOM 0 HG2 ARG A 17 7.575 3.352 -1.270 1.00 0.00 H new ATOM 0 HG3 ARG A 17 8.834 4.565 -1.383 1.00 0.00 H new ATOM 0 HD2 ARG A 17 8.589 5.127 0.983 1.00 0.00 H new ATOM 0 HD3 ARG A 17 7.191 4.082 1.132 1.00 0.00 H new ATOM 0 HE ARG A 17 8.615 2.283 1.439 1.00 0.00 H new ATOM 0 HH11 ARG A 17 10.315 4.865 -0.266 1.00 0.00 H new ATOM 0 HH12 ARG A 17 11.865 4.016 -0.244 1.00 0.00 H new ATOM 0 HH21 ARG A 17 10.609 1.200 1.463 1.00 0.00 H new ATOM 0 HH22 ARG A 17 12.030 1.952 0.729 1.00 0.00 H new ATOM 223 N GLY A 18 6.770 7.365 -3.453 1.00 0.00 N ATOM 224 CA GLY A 18 7.010 7.759 -4.829 1.00 0.00 C ATOM 225 C GLY A 18 7.238 9.250 -4.979 1.00 0.00 C ATOM 226 O GLY A 18 7.725 9.907 -4.058 1.00 0.00 O ATOM 0 H GLY A 18 5.789 7.216 -3.215 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.879 7.223 -5.210 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.159 7.462 -5.441 1.00 0.00 H new ATOM 230 N GLN A 19 6.888 9.785 -6.144 1.00 0.00 N ATOM 231 CA GLN A 19 7.059 11.208 -6.415 1.00 0.00 C ATOM 232 C GLN A 19 5.736 11.849 -6.822 1.00 0.00 C ATOM 233 O GLN A 19 5.112 11.439 -7.801 1.00 0.00 O ATOM 234 CB GLN A 19 8.097 11.414 -7.519 1.00 0.00 C ATOM 235 CG GLN A 19 9.420 10.718 -7.245 1.00 0.00 C ATOM 236 CD GLN A 19 10.595 11.678 -7.249 1.00 0.00 C ATOM 237 OE1 GLN A 19 11.016 12.166 -6.201 1.00 0.00 O ATOM 238 NE2 GLN A 19 11.129 11.954 -8.432 1.00 0.00 N ATOM 0 H GLN A 19 6.484 9.255 -6.916 1.00 0.00 H new ATOM 0 HA GLN A 19 7.407 11.687 -5.500 1.00 0.00 H new ATOM 0 HB2 GLN A 19 7.691 11.047 -8.462 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.276 12.482 -7.643 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.369 10.216 -6.279 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.583 9.946 -7.997 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.748 11.526 -9.276 1.00 0.00 H new ATOM 0 HE22 GLN A 19 11.921 12.594 -8.497 1.00 0.00 H new ATOM 247 N CYS A 20 5.312 12.855 -6.064 1.00 0.00 N ATOM 248 CA CYS A 20 4.060 13.549 -6.346 1.00 0.00 C ATOM 249 C CYS A 20 4.133 14.298 -7.673 1.00 0.00 C ATOM 250 O CYS A 20 5.213 14.675 -8.126 1.00 0.00 O ATOM 251 CB CYS A 20 3.729 14.525 -5.215 1.00 0.00 C ATOM 252 SG CYS A 20 2.365 15.672 -5.598 1.00 0.00 S ATOM 0 H CYS A 20 5.816 13.208 -5.251 1.00 0.00 H new ATOM 0 HA CYS A 20 3.270 12.801 -6.418 1.00 0.00 H new ATOM 0 HB2 CYS A 20 3.471 13.956 -4.322 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.621 15.105 -4.977 1.00 0.00 H new ATOM 257 N VAL A 21 2.973 14.517 -8.285 1.00 0.00 N ATOM 258 CA VAL A 21 2.900 15.228 -9.556 1.00 0.00 C ATOM 259 C VAL A 21 1.761 16.242 -9.548 1.00 0.00 C ATOM 260 O VAL A 21 0.837 16.146 -8.741 1.00 0.00 O ATOM 261 CB VAL A 21 2.701 14.260 -10.738 1.00 0.00 C ATOM 262 CG1 VAL A 21 2.308 15.023 -11.996 1.00 0.00 C ATOM 263 CG2 VAL A 21 3.962 13.443 -10.974 1.00 0.00 C ATOM 0 H VAL A 21 2.071 14.212 -7.921 1.00 0.00 H new ATOM 0 HA VAL A 21 3.850 15.747 -9.682 1.00 0.00 H new ATOM 0 HB VAL A 21 1.891 13.575 -10.490 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.172 14.322 -12.819 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.376 15.560 -11.819 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.094 15.734 -12.251 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.804 12.764 -11.812 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.792 14.112 -11.200 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.195 12.866 -10.079 1.00 0.00 H new ATOM 273 N ASN A 22 1.834 17.213 -10.451 1.00 0.00 N ATOM 274 CA ASN A 22 0.812 18.247 -10.547 1.00 0.00 C ATOM 275 C ASN A 22 -0.263 17.873 -11.562 1.00 0.00 C ATOM 276 O ASN A 22 0.014 17.209 -12.561 1.00 0.00 O ATOM 277 CB ASN A 22 1.447 19.582 -10.936 1.00 0.00 C ATOM 278 CG ASN A 22 0.591 20.762 -10.527 1.00 0.00 C ATOM 279 OD1 ASN A 22 0.076 21.495 -11.370 1.00 0.00 O ATOM 280 ND2 ASN A 22 0.435 20.950 -9.223 1.00 0.00 N ATOM 0 H ASN A 22 2.592 17.305 -11.128 1.00 0.00 H new ATOM 0 HA ASN A 22 0.340 18.340 -9.569 1.00 0.00 H new ATOM 0 HB2 ASN A 22 2.427 19.667 -10.467 1.00 0.00 H new ATOM 0 HB3 ASN A 22 1.606 19.607 -12.014 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -0.131 21.728 -8.884 1.00 0.00 H new ATOM 0 HD22 ASN A 22 0.881 20.317 -8.559 1.00 0.00 H new ATOM 287 N THR A 23 -1.491 18.311 -11.299 1.00 0.00 N ATOM 288 CA THR A 23 -2.612 18.032 -12.187 1.00 0.00 C ATOM 289 C THR A 23 -3.676 19.119 -12.076 1.00 0.00 C ATOM 290 O THR A 23 -3.894 19.680 -11.003 1.00 0.00 O ATOM 291 CB THR A 23 -3.253 16.667 -11.877 1.00 0.00 C ATOM 292 OG1 THR A 23 -4.135 16.782 -10.756 1.00 0.00 O ATOM 293 CG2 THR A 23 -2.185 15.624 -11.581 1.00 0.00 C ATOM 0 H THR A 23 -1.734 18.862 -10.476 1.00 0.00 H new ATOM 0 HA THR A 23 -2.216 18.012 -13.202 1.00 0.00 H new ATOM 0 HB THR A 23 -3.819 16.349 -12.753 1.00 0.00 H new ATOM 0 HG1 THR A 23 -5.019 17.071 -11.064 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.661 14.667 -11.365 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.531 15.517 -12.447 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.597 15.940 -10.719 1.00 0.00 H new ATOM 301 N PRO A 24 -4.358 19.427 -13.188 1.00 0.00 N ATOM 302 CA PRO A 24 -5.407 20.447 -13.220 1.00 0.00 C ATOM 303 C PRO A 24 -6.398 20.279 -12.074 1.00 0.00 C ATOM 304 O PRO A 24 -7.157 19.310 -12.034 1.00 0.00 O ATOM 305 CB PRO A 24 -6.102 20.225 -14.573 1.00 0.00 C ATOM 306 CG PRO A 24 -5.524 18.962 -15.129 1.00 0.00 C ATOM 307 CD PRO A 24 -4.170 18.805 -14.501 1.00 0.00 C ATOM 0 HA PRO A 24 -5.000 21.452 -13.108 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -7.181 20.139 -14.448 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -5.925 21.065 -15.245 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.161 18.108 -14.898 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.445 19.016 -16.215 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -3.880 17.758 -14.417 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -3.393 19.305 -15.080 1.00 0.00 H new ATOM 315 N GLY A 25 -6.382 21.224 -11.140 1.00 0.00 N ATOM 316 CA GLY A 25 -7.280 21.153 -10.003 1.00 0.00 C ATOM 317 C GLY A 25 -7.120 19.858 -9.236 1.00 0.00 C ATOM 318 O GLY A 25 -8.103 19.227 -8.851 1.00 0.00 O ATOM 0 H GLY A 25 -5.765 22.036 -11.150 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.090 21.995 -9.337 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.310 21.246 -10.348 1.00 0.00 H new ATOM 322 N ASP A 26 -5.871 19.461 -9.021 1.00 0.00 N ATOM 323 CA ASP A 26 -5.569 18.233 -8.303 1.00 0.00 C ATOM 324 C ASP A 26 -4.090 17.886 -8.432 1.00 0.00 C ATOM 325 O ASP A 26 -3.281 18.717 -8.844 1.00 0.00 O ATOM 326 CB ASP A 26 -6.421 17.085 -8.839 1.00 0.00 C ATOM 327 CG ASP A 26 -7.325 16.489 -7.777 1.00 0.00 C ATOM 328 OD1 ASP A 26 -7.430 17.086 -6.684 1.00 0.00 O ATOM 329 OD2 ASP A 26 -7.926 15.425 -8.036 1.00 0.00 O ATOM 0 H ASP A 26 -5.049 19.976 -9.336 1.00 0.00 H new ATOM 0 HA ASP A 26 -5.801 18.386 -7.249 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -7.029 17.445 -9.669 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -5.769 16.307 -9.235 1.00 0.00 H new ATOM 334 N PHE A 27 -3.742 16.654 -8.077 1.00 0.00 N ATOM 335 CA PHE A 27 -2.359 16.204 -8.152 1.00 0.00 C ATOM 336 C PHE A 27 -2.275 14.685 -8.061 1.00 0.00 C ATOM 337 O PHE A 27 -3.017 14.057 -7.305 1.00 0.00 O ATOM 338 CB PHE A 27 -1.545 16.844 -7.027 1.00 0.00 C ATOM 339 CG PHE A 27 -1.700 16.147 -5.707 1.00 0.00 C ATOM 340 CD1 PHE A 27 -2.741 16.476 -4.853 1.00 0.00 C ATOM 341 CD2 PHE A 27 -0.807 15.162 -5.320 1.00 0.00 C ATOM 342 CE1 PHE A 27 -2.887 15.837 -3.638 1.00 0.00 C ATOM 343 CE2 PHE A 27 -0.948 14.517 -4.106 1.00 0.00 C ATOM 344 CZ PHE A 27 -1.989 14.855 -3.263 1.00 0.00 C ATOM 0 H PHE A 27 -4.398 15.951 -7.735 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.948 16.510 -9.114 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.492 16.846 -7.307 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.847 17.885 -6.917 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.446 17.241 -5.142 1.00 0.00 H new ATOM 0 HD2 PHE A 27 0.009 14.895 -5.975 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.702 16.104 -2.981 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -0.245 13.750 -3.817 1.00 0.00 H new ATOM 0 HZ PHE A 27 -2.101 14.353 -2.313 1.00 0.00 H new ATOM 354 N GLU A 28 -1.367 14.100 -8.833 1.00 0.00 N ATOM 355 CA GLU A 28 -1.186 12.654 -8.837 1.00 0.00 C ATOM 356 C GLU A 28 0.126 12.274 -8.161 1.00 0.00 C ATOM 357 O GLU A 28 0.799 13.121 -7.573 1.00 0.00 O ATOM 358 CB GLU A 28 -1.213 12.116 -10.270 1.00 0.00 C ATOM 359 CG GLU A 28 -0.179 12.755 -11.181 1.00 0.00 C ATOM 360 CD GLU A 28 -0.592 12.727 -12.640 1.00 0.00 C ATOM 361 OE1 GLU A 28 -1.173 11.710 -13.073 1.00 0.00 O ATOM 362 OE2 GLU A 28 -0.334 13.722 -13.349 1.00 0.00 O ATOM 0 H GLU A 28 -0.745 14.605 -9.464 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.008 12.207 -8.277 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.048 11.039 -10.248 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.205 12.278 -10.691 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.017 13.788 -10.873 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.772 12.235 -11.066 1.00 0.00 H new ATOM 369 N CYS A 29 0.482 10.996 -8.239 1.00 0.00 N ATOM 370 CA CYS A 29 1.713 10.515 -7.624 1.00 0.00 C ATOM 371 C CYS A 29 2.520 9.652 -8.588 1.00 0.00 C ATOM 372 O CYS A 29 2.004 9.177 -9.601 1.00 0.00 O ATOM 373 CB CYS A 29 1.394 9.715 -6.363 1.00 0.00 C ATOM 374 SG CYS A 29 1.744 10.605 -4.815 1.00 0.00 S ATOM 0 H CYS A 29 -0.061 10.279 -8.719 1.00 0.00 H new ATOM 0 HA CYS A 29 2.314 11.386 -7.362 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.341 9.435 -6.379 1.00 0.00 H new ATOM 0 HB3 CYS A 29 1.970 8.790 -6.377 1.00 0.00 H new ATOM 379 N LYS A 30 3.790 9.449 -8.254 1.00 0.00 N ATOM 380 CA LYS A 30 4.684 8.637 -9.072 1.00 0.00 C ATOM 381 C LYS A 30 5.231 7.471 -8.256 1.00 0.00 C ATOM 382 O LYS A 30 6.443 7.298 -8.134 1.00 0.00 O ATOM 383 CB LYS A 30 5.835 9.489 -9.606 1.00 0.00 C ATOM 384 CG LYS A 30 6.498 8.910 -10.845 1.00 0.00 C ATOM 385 CD LYS A 30 6.527 7.390 -10.805 1.00 0.00 C ATOM 386 CE LYS A 30 6.916 6.805 -12.154 1.00 0.00 C ATOM 387 NZ LYS A 30 5.800 6.036 -12.769 1.00 0.00 N ATOM 0 H LYS A 30 4.225 9.838 -7.418 1.00 0.00 H new ATOM 0 HA LYS A 30 4.120 8.242 -9.917 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.461 10.486 -9.837 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.585 9.603 -8.823 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.961 9.241 -11.734 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.516 9.292 -10.926 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.235 7.058 -10.045 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.547 7.014 -10.513 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.216 7.610 -12.826 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.781 6.153 -12.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.106 5.654 -13.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.530 5.253 -12.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.983 6.663 -12.910 1.00 0.00 H new ATOM 401 N CYS A 31 4.321 6.686 -7.692 1.00 0.00 N ATOM 402 CA CYS A 31 4.686 5.535 -6.872 1.00 0.00 C ATOM 403 C CYS A 31 5.992 4.903 -7.340 1.00 0.00 C ATOM 404 O CYS A 31 6.355 4.990 -8.513 1.00 0.00 O ATOM 405 CB CYS A 31 3.561 4.502 -6.892 1.00 0.00 C ATOM 406 SG CYS A 31 1.995 5.119 -6.201 1.00 0.00 S ATOM 0 H CYS A 31 3.315 6.827 -7.788 1.00 0.00 H new ATOM 0 HA CYS A 31 4.836 5.885 -5.851 1.00 0.00 H new ATOM 0 HB2 CYS A 31 3.393 4.179 -7.920 1.00 0.00 H new ATOM 0 HB3 CYS A 31 3.876 3.623 -6.329 1.00 0.00 H new ATOM 411 N ASP A 32 6.693 4.268 -6.406 1.00 0.00 N ATOM 412 CA ASP A 32 7.963 3.619 -6.705 1.00 0.00 C ATOM 413 C ASP A 32 7.788 2.516 -7.740 1.00 0.00 C ATOM 414 O ASP A 32 8.197 2.662 -8.893 1.00 0.00 O ATOM 415 CB ASP A 32 8.576 3.043 -5.429 1.00 0.00 C ATOM 416 CG ASP A 32 9.935 2.417 -5.671 1.00 0.00 C ATOM 417 OD1 ASP A 32 10.774 3.059 -6.338 1.00 0.00 O ATOM 418 OD2 ASP A 32 10.162 1.285 -5.194 1.00 0.00 O ATOM 0 H ASP A 32 6.401 4.189 -5.432 1.00 0.00 H new ATOM 0 HA ASP A 32 8.635 4.371 -7.118 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.671 3.835 -4.686 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.903 2.294 -5.012 1.00 0.00 H new ATOM 423 N GLU A 33 7.187 1.409 -7.321 1.00 0.00 N ATOM 424 CA GLU A 33 6.970 0.278 -8.217 1.00 0.00 C ATOM 425 C GLU A 33 5.802 -0.594 -7.760 1.00 0.00 C ATOM 426 O GLU A 33 5.079 -1.153 -8.585 1.00 0.00 O ATOM 427 CB GLU A 33 8.240 -0.567 -8.317 1.00 0.00 C ATOM 428 CG GLU A 33 9.520 0.251 -8.264 1.00 0.00 C ATOM 429 CD GLU A 33 10.764 -0.616 -8.245 1.00 0.00 C ATOM 430 OE1 GLU A 33 10.978 -1.328 -7.240 1.00 0.00 O ATOM 431 OE2 GLU A 33 11.525 -0.583 -9.235 1.00 0.00 O ATOM 0 H GLU A 33 6.842 1.270 -6.371 1.00 0.00 H new ATOM 0 HA GLU A 33 6.721 0.681 -9.199 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.249 -1.293 -7.504 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.218 -1.132 -9.249 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.558 0.916 -9.127 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.507 0.882 -7.375 1.00 0.00 H new ATOM 438 N GLY A 34 5.623 -0.719 -6.448 1.00 0.00 N ATOM 439 CA GLY A 34 4.545 -1.535 -5.930 1.00 0.00 C ATOM 440 C GLY A 34 3.647 -0.777 -4.979 1.00 0.00 C ATOM 441 O GLY A 34 2.758 -1.362 -4.368 1.00 0.00 O ATOM 0 H GLY A 34 6.204 -0.271 -5.739 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.950 -1.915 -6.761 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.964 -2.400 -5.416 1.00 0.00 H new ATOM 445 N TYR A 35 3.879 0.526 -4.852 1.00 0.00 N ATOM 446 CA TYR A 35 3.079 1.363 -3.964 1.00 0.00 C ATOM 447 C TYR A 35 1.912 1.997 -4.712 1.00 0.00 C ATOM 448 O TYR A 35 2.046 2.401 -5.866 1.00 0.00 O ATOM 449 CB TYR A 35 3.951 2.453 -3.338 1.00 0.00 C ATOM 450 CG TYR A 35 4.947 1.928 -2.329 1.00 0.00 C ATOM 451 CD1 TYR A 35 5.780 0.860 -2.638 1.00 0.00 C ATOM 452 CD2 TYR A 35 5.055 2.499 -1.067 1.00 0.00 C ATOM 453 CE1 TYR A 35 6.692 0.377 -1.719 1.00 0.00 C ATOM 454 CE2 TYR A 35 5.964 2.022 -0.142 1.00 0.00 C ATOM 455 CZ TYR A 35 6.780 0.961 -0.473 1.00 0.00 C ATOM 456 OH TYR A 35 7.686 0.482 0.445 1.00 0.00 O ATOM 0 H TYR A 35 4.614 1.025 -5.353 1.00 0.00 H new ATOM 0 HA TYR A 35 2.676 0.728 -3.175 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.489 2.975 -4.129 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.308 3.187 -2.853 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.714 0.400 -3.613 1.00 0.00 H new ATOM 0 HD2 TYR A 35 4.417 3.330 -0.804 1.00 0.00 H new ATOM 0 HE1 TYR A 35 7.333 -0.454 -1.975 1.00 0.00 H new ATOM 0 HE2 TYR A 35 6.035 2.478 0.835 1.00 0.00 H new ATOM 0 HH TYR A 35 8.593 0.559 0.081 1.00 0.00 H new ATOM 466 N GLU A 36 0.766 2.085 -4.043 1.00 0.00 N ATOM 467 CA GLU A 36 -0.425 2.674 -4.640 1.00 0.00 C ATOM 468 C GLU A 36 -1.020 3.728 -3.710 1.00 0.00 C ATOM 469 O GLU A 36 -1.387 3.417 -2.577 1.00 0.00 O ATOM 470 CB GLU A 36 -1.452 1.576 -4.963 1.00 0.00 C ATOM 471 CG GLU A 36 -2.781 1.704 -4.226 1.00 0.00 C ATOM 472 CD GLU A 36 -3.849 0.784 -4.784 1.00 0.00 C ATOM 473 OE1 GLU A 36 -3.501 -0.111 -5.583 1.00 0.00 O ATOM 474 OE2 GLU A 36 -5.030 0.958 -4.422 1.00 0.00 O ATOM 0 H GLU A 36 0.638 1.755 -3.086 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.148 3.167 -5.572 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.646 1.584 -6.036 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.013 0.607 -4.725 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.630 1.480 -3.170 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.128 2.736 -4.287 1.00 0.00 H new ATOM 481 N SER A 37 -1.101 4.967 -4.206 1.00 0.00 N ATOM 482 CA SER A 37 -1.639 6.101 -3.445 1.00 0.00 C ATOM 483 C SER A 37 -2.267 5.669 -2.122 1.00 0.00 C ATOM 484 O SER A 37 -3.219 4.890 -2.099 1.00 0.00 O ATOM 485 CB SER A 37 -2.674 6.851 -4.287 1.00 0.00 C ATOM 486 OG SER A 37 -3.967 6.752 -3.716 1.00 0.00 O ATOM 0 H SER A 37 -0.795 5.213 -5.148 1.00 0.00 H new ATOM 0 HA SER A 37 -0.801 6.758 -3.210 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.389 7.900 -4.369 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.688 6.444 -5.298 1.00 0.00 H new ATOM 0 HG SER A 37 -4.609 7.241 -4.273 1.00 0.00 H new ATOM 492 N GLY A 38 -1.730 6.191 -1.023 1.00 0.00 N ATOM 493 CA GLY A 38 -2.248 5.861 0.288 1.00 0.00 C ATOM 494 C GLY A 38 -3.546 6.577 0.562 1.00 0.00 C ATOM 495 O GLY A 38 -3.668 7.333 1.526 1.00 0.00 O ATOM 0 H GLY A 38 -0.942 6.839 -1.020 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.402 4.784 0.360 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.515 6.129 1.049 1.00 0.00 H new ATOM 499 N PHE A 39 -4.511 6.343 -0.308 1.00 0.00 N ATOM 500 CA PHE A 39 -5.820 6.968 -0.199 1.00 0.00 C ATOM 501 C PHE A 39 -6.416 6.758 1.188 1.00 0.00 C ATOM 502 O PHE A 39 -7.255 7.538 1.637 1.00 0.00 O ATOM 503 CB PHE A 39 -6.751 6.414 -1.278 1.00 0.00 C ATOM 504 CG PHE A 39 -7.531 5.204 -0.848 1.00 0.00 C ATOM 505 CD1 PHE A 39 -6.896 3.989 -0.644 1.00 0.00 C ATOM 506 CD2 PHE A 39 -8.900 5.282 -0.647 1.00 0.00 C ATOM 507 CE1 PHE A 39 -7.611 2.875 -0.248 1.00 0.00 C ATOM 508 CE2 PHE A 39 -9.621 4.171 -0.252 1.00 0.00 C ATOM 509 CZ PHE A 39 -8.976 2.966 -0.052 1.00 0.00 C ATOM 0 H PHE A 39 -4.412 5.717 -1.108 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.704 8.042 -0.348 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -7.449 7.196 -1.578 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -6.160 6.159 -2.158 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.830 3.912 -0.796 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -9.409 6.222 -0.801 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.104 1.934 -0.092 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -10.688 4.245 -0.100 1.00 0.00 H new ATOM 0 HZ PHE A 39 -9.537 2.097 0.257 1.00 0.00 H new ATOM 519 N MET A 40 -5.969 5.708 1.865 1.00 0.00 N ATOM 520 CA MET A 40 -6.451 5.409 3.205 1.00 0.00 C ATOM 521 C MET A 40 -5.996 6.489 4.175 1.00 0.00 C ATOM 522 O MET A 40 -6.618 6.717 5.211 1.00 0.00 O ATOM 523 CB MET A 40 -5.944 4.043 3.667 1.00 0.00 C ATOM 524 CG MET A 40 -5.669 3.082 2.525 1.00 0.00 C ATOM 525 SD MET A 40 -5.344 1.401 3.091 1.00 0.00 S ATOM 526 CE MET A 40 -5.639 0.474 1.588 1.00 0.00 C ATOM 0 H MET A 40 -5.275 5.051 1.508 1.00 0.00 H new ATOM 0 HA MET A 40 -7.541 5.384 3.184 1.00 0.00 H new ATOM 0 HB2 MET A 40 -5.030 4.180 4.244 1.00 0.00 H new ATOM 0 HB3 MET A 40 -6.680 3.598 4.336 1.00 0.00 H new ATOM 0 HG2 MET A 40 -6.524 3.074 1.849 1.00 0.00 H new ATOM 0 HG3 MET A 40 -4.813 3.440 1.953 1.00 0.00 H new ATOM 0 HE1 MET A 40 -5.229 -0.531 1.694 1.00 0.00 H new ATOM 0 HE2 MET A 40 -6.712 0.411 1.404 1.00 0.00 H new ATOM 0 HE3 MET A 40 -5.156 0.976 0.750 1.00 0.00 H new ATOM 536 N MET A 41 -4.903 7.154 3.818 1.00 0.00 N ATOM 537 CA MET A 41 -4.345 8.220 4.637 1.00 0.00 C ATOM 538 C MET A 41 -4.593 9.579 3.989 1.00 0.00 C ATOM 539 O MET A 41 -4.824 10.574 4.676 1.00 0.00 O ATOM 540 CB MET A 41 -2.842 8.006 4.836 1.00 0.00 C ATOM 541 CG MET A 41 -2.386 6.575 4.588 1.00 0.00 C ATOM 542 SD MET A 41 -2.609 5.509 6.026 1.00 0.00 S ATOM 543 CE MET A 41 -3.998 6.301 6.832 1.00 0.00 C ATOM 0 H MET A 41 -4.383 6.970 2.960 1.00 0.00 H new ATOM 0 HA MET A 41 -4.839 8.199 5.609 1.00 0.00 H new ATOM 0 HB2 MET A 41 -2.298 8.672 4.166 1.00 0.00 H new ATOM 0 HB3 MET A 41 -2.576 8.291 5.854 1.00 0.00 H new ATOM 0 HG2 MET A 41 -2.942 6.162 3.746 1.00 0.00 H new ATOM 0 HG3 MET A 41 -1.334 6.578 4.304 1.00 0.00 H new ATOM 0 HE1 MET A 41 -4.253 5.754 7.739 1.00 0.00 H new ATOM 0 HE2 MET A 41 -3.733 7.327 7.089 1.00 0.00 H new ATOM 0 HE3 MET A 41 -4.855 6.306 6.159 1.00 0.00 H new ATOM 553 N MET A 42 -4.542 9.609 2.661 1.00 0.00 N ATOM 554 CA MET A 42 -4.759 10.843 1.914 1.00 0.00 C ATOM 555 C MET A 42 -4.333 10.671 0.462 1.00 0.00 C ATOM 556 O MET A 42 -5.147 10.780 -0.455 1.00 0.00 O ATOM 557 CB MET A 42 -3.985 11.997 2.554 1.00 0.00 C ATOM 558 CG MET A 42 -2.639 11.582 3.126 1.00 0.00 C ATOM 559 SD MET A 42 -2.373 12.205 4.797 1.00 0.00 S ATOM 560 CE MET A 42 -0.935 11.256 5.286 1.00 0.00 C ATOM 0 H MET A 42 -4.352 8.793 2.080 1.00 0.00 H new ATOM 0 HA MET A 42 -5.823 11.076 1.940 1.00 0.00 H new ATOM 0 HB2 MET A 42 -3.829 12.777 1.809 1.00 0.00 H new ATOM 0 HB3 MET A 42 -4.590 12.433 3.349 1.00 0.00 H new ATOM 0 HG2 MET A 42 -2.571 10.494 3.133 1.00 0.00 H new ATOM 0 HG3 MET A 42 -1.844 11.947 2.476 1.00 0.00 H new ATOM 0 HE1 MET A 42 -0.764 11.380 6.355 1.00 0.00 H new ATOM 0 HE2 MET A 42 -1.102 10.202 5.065 1.00 0.00 H new ATOM 0 HE3 MET A 42 -0.062 11.608 4.736 1.00 0.00 H new ATOM 570 N LYS A 43 -3.051 10.395 0.266 1.00 0.00 N ATOM 571 CA LYS A 43 -2.502 10.197 -1.069 1.00 0.00 C ATOM 572 C LYS A 43 -0.984 10.079 -1.019 1.00 0.00 C ATOM 573 O LYS A 43 -0.263 10.925 -1.548 1.00 0.00 O ATOM 574 CB LYS A 43 -2.907 11.345 -1.995 1.00 0.00 C ATOM 575 CG LYS A 43 -2.269 11.260 -3.372 1.00 0.00 C ATOM 576 CD LYS A 43 -3.207 10.625 -4.386 1.00 0.00 C ATOM 577 CE LYS A 43 -2.736 10.873 -5.810 1.00 0.00 C ATOM 578 NZ LYS A 43 -3.852 11.302 -6.697 1.00 0.00 N ATOM 0 H LYS A 43 -2.369 10.303 1.018 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.910 9.267 -1.464 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.992 11.349 -2.104 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.630 12.292 -1.531 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.992 12.259 -3.708 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.349 10.678 -3.312 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.270 9.552 -4.204 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.211 11.029 -4.258 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.960 11.638 -5.808 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.286 9.963 -6.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.862 10.711 -7.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.756 11.198 -6.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.719 12.298 -6.966 1.00 0.00 H new ATOM 592 N ASN A 44 -0.506 9.017 -0.382 1.00 0.00 N ATOM 593 CA ASN A 44 0.919 8.769 -0.262 1.00 0.00 C ATOM 594 C ASN A 44 1.237 7.327 -0.636 1.00 0.00 C ATOM 595 O ASN A 44 1.254 6.451 0.228 1.00 0.00 O ATOM 596 CB ASN A 44 1.394 9.062 1.163 1.00 0.00 C ATOM 597 CG ASN A 44 0.265 9.001 2.172 1.00 0.00 C ATOM 598 OD1 ASN A 44 -0.023 9.981 2.860 1.00 0.00 O ATOM 599 ND2 ASN A 44 -0.382 7.845 2.266 1.00 0.00 N ATOM 0 H ASN A 44 -1.093 8.310 0.062 1.00 0.00 H new ATOM 0 HA ASN A 44 1.445 9.433 -0.948 1.00 0.00 H new ATOM 0 HB2 ASN A 44 2.165 8.344 1.441 1.00 0.00 H new ATOM 0 HB3 ASN A 44 1.853 10.050 1.194 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -1.151 7.743 2.928 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.110 7.059 1.676 1.00 0.00 H new ATOM 606 N CYS A 45 1.471 7.102 -1.935 1.00 0.00 N ATOM 607 CA CYS A 45 1.781 5.772 -2.478 1.00 0.00 C ATOM 608 C CYS A 45 2.056 4.759 -1.374 1.00 0.00 C ATOM 609 O CYS A 45 2.985 4.923 -0.583 1.00 0.00 O ATOM 610 CB CYS A 45 2.973 5.857 -3.428 1.00 0.00 C ATOM 611 SG CYS A 45 2.584 6.659 -5.017 1.00 0.00 S ATOM 0 H CYS A 45 1.451 7.838 -2.641 1.00 0.00 H new ATOM 0 HA CYS A 45 0.906 5.427 -3.028 1.00 0.00 H new ATOM 0 HB2 CYS A 45 3.777 6.408 -2.940 1.00 0.00 H new ATOM 0 HB3 CYS A 45 3.346 4.851 -3.620 1.00 0.00 H new ATOM 616 N MET A 46 1.220 3.731 -1.307 1.00 0.00 N ATOM 617 CA MET A 46 1.350 2.714 -0.278 1.00 0.00 C ATOM 618 C MET A 46 1.085 1.312 -0.827 1.00 0.00 C ATOM 619 O MET A 46 -0.064 0.945 -1.069 1.00 0.00 O ATOM 620 CB MET A 46 0.378 3.029 0.860 1.00 0.00 C ATOM 621 CG MET A 46 1.017 3.795 2.006 1.00 0.00 C ATOM 622 SD MET A 46 -0.059 3.911 3.449 1.00 0.00 S ATOM 623 CE MET A 46 0.030 2.234 4.073 1.00 0.00 C ATOM 0 H MET A 46 0.446 3.582 -1.954 1.00 0.00 H new ATOM 0 HA MET A 46 2.376 2.727 0.091 1.00 0.00 H new ATOM 0 HB2 MET A 46 -0.456 3.610 0.465 1.00 0.00 H new ATOM 0 HB3 MET A 46 -0.036 2.096 1.243 1.00 0.00 H new ATOM 0 HG2 MET A 46 1.948 3.305 2.290 1.00 0.00 H new ATOM 0 HG3 MET A 46 1.275 4.799 1.668 1.00 0.00 H new ATOM 0 HE1 MET A 46 -0.339 2.207 5.098 1.00 0.00 H new ATOM 0 HE2 MET A 46 -0.581 1.581 3.450 1.00 0.00 H new ATOM 0 HE3 MET A 46 1.065 1.892 4.051 1.00 0.00 H new ATOM 633 N ASP A 47 2.168 0.545 -1.008 1.00 0.00 N ATOM 634 CA ASP A 47 2.108 -0.831 -1.514 1.00 0.00 C ATOM 635 C ASP A 47 0.714 -1.235 -1.988 1.00 0.00 C ATOM 636 O ASP A 47 -0.214 -1.373 -1.190 1.00 0.00 O ATOM 637 CB ASP A 47 2.583 -1.803 -0.434 1.00 0.00 C ATOM 638 CG ASP A 47 1.523 -2.062 0.618 1.00 0.00 C ATOM 639 OD1 ASP A 47 0.751 -1.130 0.924 1.00 0.00 O ATOM 640 OD2 ASP A 47 1.466 -3.197 1.136 1.00 0.00 O ATOM 0 H ASP A 47 3.115 0.864 -0.806 1.00 0.00 H new ATOM 0 HA ASP A 47 2.766 -0.875 -2.382 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.868 -2.747 -0.899 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.476 -1.401 0.045 1.00 0.00 H new ATOM 645 N ILE A 48 0.585 -1.436 -3.293 1.00 0.00 N ATOM 646 CA ILE A 48 -0.678 -1.839 -3.897 1.00 0.00 C ATOM 647 C ILE A 48 -1.301 -3.011 -3.149 1.00 0.00 C ATOM 648 O ILE A 48 -0.790 -3.449 -2.119 1.00 0.00 O ATOM 649 CB ILE A 48 -0.474 -2.246 -5.368 1.00 0.00 C ATOM 650 CG1 ILE A 48 0.878 -2.943 -5.534 1.00 0.00 C ATOM 651 CG2 ILE A 48 -0.567 -1.032 -6.279 1.00 0.00 C ATOM 652 CD1 ILE A 48 0.796 -4.241 -6.309 1.00 0.00 C ATOM 0 H ILE A 48 1.349 -1.325 -3.960 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.348 -0.981 -3.841 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.264 -2.941 -5.652 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.566 -2.268 -6.043 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.298 -3.143 -4.548 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.420 -1.341 -7.314 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.550 -0.573 -6.174 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.202 -0.310 -6.003 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.790 -4.681 -6.388 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.133 -4.933 -5.790 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.405 -4.045 -7.307 1.00 0.00 H new ATOM 664 N ASP A 49 -2.405 -3.519 -3.685 1.00 0.00 N ATOM 665 CA ASP A 49 -3.099 -4.647 -3.079 1.00 0.00 C ATOM 666 C ASP A 49 -2.788 -5.933 -3.836 1.00 0.00 C ATOM 667 O ASP A 49 -3.635 -6.461 -4.555 1.00 0.00 O ATOM 668 CB ASP A 49 -4.609 -4.405 -3.071 1.00 0.00 C ATOM 669 CG ASP A 49 -5.371 -5.541 -2.416 1.00 0.00 C ATOM 670 OD1 ASP A 49 -4.786 -6.633 -2.253 1.00 0.00 O ATOM 671 OD2 ASP A 49 -6.553 -5.339 -2.066 1.00 0.00 O ATOM 0 H ASP A 49 -2.838 -3.167 -4.539 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.751 -4.748 -2.051 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.823 -3.475 -2.543 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -4.960 -4.278 -4.095 1.00 0.00 H new ATOM 676 N GLU A 50 -1.567 -6.429 -3.673 1.00 0.00 N ATOM 677 CA GLU A 50 -1.145 -7.649 -4.342 1.00 0.00 C ATOM 678 C GLU A 50 -2.164 -8.764 -4.138 1.00 0.00 C ATOM 679 O GLU A 50 -2.235 -9.707 -4.925 1.00 0.00 O ATOM 680 CB GLU A 50 0.218 -8.089 -3.815 1.00 0.00 C ATOM 681 CG GLU A 50 1.376 -7.276 -4.368 1.00 0.00 C ATOM 682 CD GLU A 50 1.691 -6.060 -3.519 1.00 0.00 C ATOM 683 OE1 GLU A 50 0.981 -5.042 -3.654 1.00 0.00 O ATOM 684 OE2 GLU A 50 2.648 -6.126 -2.719 1.00 0.00 O ATOM 0 H GLU A 50 -0.853 -6.003 -3.082 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.070 -7.443 -5.410 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.219 -8.014 -2.728 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.372 -9.139 -4.062 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.261 -7.909 -4.433 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.138 -6.955 -5.382 1.00 0.00 H new ATOM 691 N CYS A 51 -2.953 -8.648 -3.076 1.00 0.00 N ATOM 692 CA CYS A 51 -3.973 -9.644 -2.768 1.00 0.00 C ATOM 693 C CYS A 51 -5.178 -9.483 -3.690 1.00 0.00 C ATOM 694 O CYS A 51 -6.069 -10.332 -3.721 1.00 0.00 O ATOM 695 CB CYS A 51 -4.417 -9.520 -1.310 1.00 0.00 C ATOM 696 SG CYS A 51 -3.054 -9.628 -0.107 1.00 0.00 S ATOM 0 H CYS A 51 -2.906 -7.874 -2.413 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.540 -10.632 -2.925 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -4.930 -8.568 -1.177 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -5.141 -10.305 -1.094 1.00 0.00 H new ATOM 701 N GLN A 52 -5.195 -8.384 -4.435 1.00 0.00 N ATOM 702 CA GLN A 52 -6.285 -8.096 -5.355 1.00 0.00 C ATOM 703 C GLN A 52 -5.780 -8.058 -6.793 1.00 0.00 C ATOM 704 O GLN A 52 -6.543 -8.263 -7.737 1.00 0.00 O ATOM 705 CB GLN A 52 -6.930 -6.760 -4.992 1.00 0.00 C ATOM 706 CG GLN A 52 -8.096 -6.894 -4.030 1.00 0.00 C ATOM 707 CD GLN A 52 -9.160 -5.837 -4.252 1.00 0.00 C ATOM 708 OE1 GLN A 52 -9.761 -5.760 -5.323 1.00 0.00 O ATOM 709 NE2 GLN A 52 -9.398 -5.014 -3.237 1.00 0.00 N ATOM 0 H GLN A 52 -4.462 -7.675 -4.418 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.028 -8.889 -5.272 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -6.176 -6.110 -4.549 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.275 -6.272 -5.904 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.542 -7.882 -4.141 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -7.728 -6.824 -3.007 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.876 -5.114 -2.366 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -10.103 -4.282 -3.328 1.00 0.00 H new ATOM 718 N ARG A 53 -4.488 -7.792 -6.948 1.00 0.00 N ATOM 719 CA ARG A 53 -3.872 -7.723 -8.266 1.00 0.00 C ATOM 720 C ARG A 53 -4.138 -8.996 -9.062 1.00 0.00 C ATOM 721 O ARG A 53 -4.275 -8.959 -10.285 1.00 0.00 O ATOM 722 CB ARG A 53 -2.365 -7.499 -8.131 1.00 0.00 C ATOM 723 CG ARG A 53 -1.609 -7.645 -9.440 1.00 0.00 C ATOM 724 CD ARG A 53 -0.343 -8.465 -9.261 1.00 0.00 C ATOM 725 NE ARG A 53 0.380 -8.639 -10.517 1.00 0.00 N ATOM 726 CZ ARG A 53 1.694 -8.828 -10.591 1.00 0.00 C ATOM 727 NH1 ARG A 53 2.424 -8.869 -9.485 1.00 0.00 N ATOM 728 NH2 ARG A 53 2.279 -8.977 -11.772 1.00 0.00 N ATOM 0 H ARG A 53 -3.846 -7.620 -6.174 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.314 -6.884 -8.803 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.189 -6.501 -7.729 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.964 -8.209 -7.408 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.251 -8.121 -10.181 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.354 -6.658 -9.826 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.306 -7.976 -8.534 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.599 -9.442 -8.852 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.153 -8.614 -11.387 1.00 0.00 H new ATOM 0 HH11 ARG A 53 1.978 -8.755 -8.575 1.00 0.00 H new ATOM 0 HH12 ARG A 53 3.432 -9.014 -9.544 1.00 0.00 H new ATOM 0 HH21 ARG A 53 1.721 -8.947 -12.625 1.00 0.00 H new ATOM 0 HH22 ARG A 53 3.287 -9.122 -11.827 1.00 0.00 H new ATOM 742 N ASP A 54 -4.207 -10.123 -8.361 1.00 0.00 N ATOM 743 CA ASP A 54 -4.453 -11.408 -9.002 1.00 0.00 C ATOM 744 C ASP A 54 -5.620 -12.134 -8.341 1.00 0.00 C ATOM 745 O ASP A 54 -5.785 -12.093 -7.123 1.00 0.00 O ATOM 746 CB ASP A 54 -3.198 -12.279 -8.943 1.00 0.00 C ATOM 747 CG ASP A 54 -2.295 -12.074 -10.145 1.00 0.00 C ATOM 748 OD1 ASP A 54 -2.813 -12.067 -11.282 1.00 0.00 O ATOM 749 OD2 ASP A 54 -1.072 -11.920 -9.949 1.00 0.00 O ATOM 0 H ASP A 54 -4.096 -10.172 -7.348 1.00 0.00 H new ATOM 0 HA ASP A 54 -4.710 -11.221 -10.045 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.644 -12.052 -8.032 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.489 -13.328 -8.885 1.00 0.00 H new ATOM 754 N PRO A 55 -6.446 -12.811 -9.150 1.00 0.00 N ATOM 755 CA PRO A 55 -7.605 -13.557 -8.663 1.00 0.00 C ATOM 756 C PRO A 55 -7.221 -14.939 -8.148 1.00 0.00 C ATOM 757 O PRO A 55 -8.039 -15.645 -7.559 1.00 0.00 O ATOM 758 CB PRO A 55 -8.480 -13.668 -9.907 1.00 0.00 C ATOM 759 CG PRO A 55 -7.515 -13.703 -11.044 1.00 0.00 C ATOM 760 CD PRO A 55 -6.308 -12.904 -10.613 1.00 0.00 C ATOM 0 HA PRO A 55 -8.095 -13.069 -7.820 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -9.094 -14.568 -9.881 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -9.160 -12.820 -9.990 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.235 -14.729 -11.283 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.960 -13.277 -11.943 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -5.379 -13.400 -10.896 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -6.296 -11.917 -11.076 1.00 0.00 H new ATOM 768 N LEU A 56 -5.967 -15.314 -8.374 1.00 0.00 N ATOM 769 CA LEU A 56 -5.460 -16.604 -7.933 1.00 0.00 C ATOM 770 C LEU A 56 -4.412 -16.421 -6.841 1.00 0.00 C ATOM 771 O LEU A 56 -3.972 -17.387 -6.217 1.00 0.00 O ATOM 772 CB LEU A 56 -4.858 -17.369 -9.112 1.00 0.00 C ATOM 773 CG LEU A 56 -5.732 -18.496 -9.667 1.00 0.00 C ATOM 774 CD1 LEU A 56 -5.335 -19.830 -9.056 1.00 0.00 C ATOM 775 CD2 LEU A 56 -7.206 -18.210 -9.416 1.00 0.00 C ATOM 0 H LEU A 56 -5.281 -14.738 -8.863 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.292 -17.179 -7.526 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.649 -16.662 -9.915 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.902 -17.790 -8.802 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.574 -18.550 -10.744 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.967 -20.619 -9.463 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.292 -20.043 -9.292 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.460 -19.786 -7.974 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.808 -19.024 -9.819 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.383 -18.124 -8.344 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -7.484 -17.277 -9.905 1.00 0.00 H new ATOM 787 N LEU A 57 -4.017 -15.171 -6.615 1.00 0.00 N ATOM 788 CA LEU A 57 -3.024 -14.856 -5.598 1.00 0.00 C ATOM 789 C LEU A 57 -3.412 -15.464 -4.257 1.00 0.00 C ATOM 790 O LEU A 57 -4.477 -15.168 -3.716 1.00 0.00 O ATOM 791 CB LEU A 57 -2.874 -13.341 -5.462 1.00 0.00 C ATOM 792 CG LEU A 57 -1.521 -12.871 -4.930 1.00 0.00 C ATOM 793 CD1 LEU A 57 -0.942 -11.792 -5.829 1.00 0.00 C ATOM 794 CD2 LEU A 57 -1.660 -12.365 -3.503 1.00 0.00 C ATOM 0 H LEU A 57 -4.371 -14.361 -7.124 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.070 -15.283 -5.906 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.042 -12.885 -6.438 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.656 -12.972 -4.799 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.835 -13.718 -4.928 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.022 -11.469 -5.435 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.808 -12.190 -6.835 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.624 -10.942 -5.863 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.688 -12.034 -3.138 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.360 -11.530 -3.480 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.032 -13.168 -2.867 1.00 0.00 H new ATOM 806 N CYS A 58 -2.545 -16.320 -3.730 1.00 0.00 N ATOM 807 CA CYS A 58 -2.808 -16.973 -2.457 1.00 0.00 C ATOM 808 C CYS A 58 -4.236 -17.503 -2.426 1.00 0.00 C ATOM 809 O CYS A 58 -4.837 -17.654 -1.362 1.00 0.00 O ATOM 810 CB CYS A 58 -2.571 -15.996 -1.304 1.00 0.00 C ATOM 811 SG CYS A 58 -0.912 -15.244 -1.315 1.00 0.00 S ATOM 0 H CYS A 58 -1.658 -16.576 -4.163 1.00 0.00 H new ATOM 0 HA CYS A 58 -2.124 -17.814 -2.342 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.320 -15.205 -1.349 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.717 -16.520 -0.359 1.00 0.00 H new ATOM 816 N ARG A 59 -4.767 -17.783 -3.612 1.00 0.00 N ATOM 817 CA ARG A 59 -6.123 -18.298 -3.751 1.00 0.00 C ATOM 818 C ARG A 59 -6.334 -19.512 -2.854 1.00 0.00 C ATOM 819 O ARG A 59 -7.443 -19.763 -2.381 1.00 0.00 O ATOM 820 CB ARG A 59 -6.391 -18.666 -5.211 1.00 0.00 C ATOM 821 CG ARG A 59 -7.866 -18.794 -5.550 1.00 0.00 C ATOM 822 CD ARG A 59 -8.231 -20.221 -5.927 1.00 0.00 C ATOM 823 NE ARG A 59 -9.254 -20.268 -6.967 1.00 0.00 N ATOM 824 CZ ARG A 59 -10.532 -19.973 -6.756 1.00 0.00 C ATOM 825 NH1 ARG A 59 -10.940 -19.612 -5.547 1.00 0.00 N ATOM 826 NH2 ARG A 59 -11.404 -20.039 -7.754 1.00 0.00 N ATOM 0 H ARG A 59 -4.274 -17.660 -4.496 1.00 0.00 H new ATOM 0 HA ARG A 59 -6.824 -17.522 -3.444 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.944 -17.908 -5.855 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.893 -19.609 -5.436 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -8.465 -18.478 -4.696 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -8.110 -18.125 -6.375 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -7.339 -20.744 -6.272 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -8.588 -20.749 -5.043 1.00 0.00 H new ATOM 0 HE ARG A 59 -8.972 -20.543 -7.908 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -10.272 -19.561 -4.778 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -11.922 -19.386 -5.386 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -11.093 -20.317 -8.685 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -12.385 -19.812 -7.590 1.00 0.00 H new ATOM 840 N GLY A 60 -5.261 -20.259 -2.620 1.00 0.00 N ATOM 841 CA GLY A 60 -5.342 -21.435 -1.775 1.00 0.00 C ATOM 842 C GLY A 60 -4.371 -21.373 -0.614 1.00 0.00 C ATOM 843 O GLY A 60 -4.050 -22.395 -0.007 1.00 0.00 O ATOM 0 H GLY A 60 -4.334 -20.070 -3.002 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.358 -21.536 -1.392 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.136 -22.324 -2.371 1.00 0.00 H new ATOM 847 N GLY A 61 -3.900 -20.169 -0.308 1.00 0.00 N ATOM 848 CA GLY A 61 -2.962 -19.993 0.785 1.00 0.00 C ATOM 849 C GLY A 61 -3.225 -18.728 1.580 1.00 0.00 C ATOM 850 O GLY A 61 -4.357 -18.467 1.987 1.00 0.00 O ATOM 0 H GLY A 61 -4.152 -19.311 -0.798 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -3.019 -20.855 1.450 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.948 -19.964 0.387 1.00 0.00 H new ATOM 854 N VAL A 62 -2.176 -17.942 1.798 1.00 0.00 N ATOM 855 CA VAL A 62 -2.294 -16.697 2.547 1.00 0.00 C ATOM 856 C VAL A 62 -1.563 -15.565 1.835 1.00 0.00 C ATOM 857 O VAL A 62 -0.446 -15.743 1.350 1.00 0.00 O ATOM 858 CB VAL A 62 -1.728 -16.842 3.973 1.00 0.00 C ATOM 859 CG1 VAL A 62 -1.595 -15.481 4.639 1.00 0.00 C ATOM 860 CG2 VAL A 62 -2.605 -17.768 4.803 1.00 0.00 C ATOM 0 H VAL A 62 -1.233 -18.146 1.466 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.356 -16.462 2.611 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.734 -17.284 3.906 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.194 -15.606 5.645 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.921 -14.854 4.055 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.575 -15.006 4.695 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.190 -17.859 5.807 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.613 -17.358 4.863 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.641 -18.752 4.335 1.00 0.00 H new ATOM 870 N CYS A 63 -2.201 -14.402 1.771 1.00 0.00 N ATOM 871 CA CYS A 63 -1.608 -13.246 1.112 1.00 0.00 C ATOM 872 C CYS A 63 -1.146 -12.207 2.128 1.00 0.00 C ATOM 873 O CYS A 63 -1.942 -11.412 2.627 1.00 0.00 O ATOM 874 CB CYS A 63 -2.607 -12.616 0.142 1.00 0.00 C ATOM 875 SG CYS A 63 -1.946 -11.190 -0.779 1.00 0.00 S ATOM 0 H CYS A 63 -3.126 -14.235 2.166 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.737 -13.591 0.555 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -2.935 -13.374 -0.569 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -3.488 -12.299 0.699 1.00 0.00 H new ATOM 880 N HIS A 64 0.150 -12.217 2.422 1.00 0.00 N ATOM 881 CA HIS A 64 0.727 -11.273 3.370 1.00 0.00 C ATOM 882 C HIS A 64 1.206 -10.017 2.651 1.00 0.00 C ATOM 883 O HIS A 64 2.392 -9.688 2.674 1.00 0.00 O ATOM 884 CB HIS A 64 1.891 -11.919 4.123 1.00 0.00 C ATOM 885 CG HIS A 64 1.509 -13.164 4.860 1.00 0.00 C ATOM 886 ND1 HIS A 64 1.849 -14.428 4.428 1.00 0.00 N ATOM 887 CD2 HIS A 64 0.812 -13.335 6.008 1.00 0.00 C ATOM 888 CE1 HIS A 64 1.375 -15.323 5.276 1.00 0.00 C ATOM 889 NE2 HIS A 64 0.744 -14.686 6.244 1.00 0.00 N ATOM 0 H HIS A 64 0.821 -12.870 2.016 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.045 -10.993 4.086 1.00 0.00 H new ATOM 0 HB2 HIS A 64 2.685 -12.155 3.415 1.00 0.00 H new ATOM 0 HB3 HIS A 64 2.300 -11.198 4.831 1.00 0.00 H new ATOM 0 HD1 HIS A 64 2.383 -14.639 3.585 1.00 0.00 H new ATOM 0 HD2 HIS A 64 0.389 -12.555 6.623 1.00 0.00 H new ATOM 0 HE1 HIS A 64 1.485 -16.394 5.191 1.00 0.00 H new ATOM 898 N ASN A 65 0.274 -9.322 2.009 1.00 0.00 N ATOM 899 CA ASN A 65 0.595 -8.102 1.277 1.00 0.00 C ATOM 900 C ASN A 65 1.467 -7.175 2.119 1.00 0.00 C ATOM 901 O ASN A 65 1.018 -6.631 3.129 1.00 0.00 O ATOM 902 CB ASN A 65 -0.688 -7.381 0.861 1.00 0.00 C ATOM 903 CG ASN A 65 -0.420 -5.997 0.303 1.00 0.00 C ATOM 904 OD1 ASN A 65 0.335 -5.218 0.883 1.00 0.00 O ATOM 905 ND2 ASN A 65 -1.043 -5.685 -0.827 1.00 0.00 N ATOM 0 H ASN A 65 -0.712 -9.583 1.980 1.00 0.00 H new ATOM 0 HA ASN A 65 1.153 -8.379 0.383 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.209 -7.977 0.112 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.351 -7.300 1.722 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -0.904 -4.767 -1.249 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.660 -6.363 -1.273 1.00 0.00 H new ATOM 912 N THR A 66 2.714 -7.003 1.696 1.00 0.00 N ATOM 913 CA THR A 66 3.652 -6.144 2.407 1.00 0.00 C ATOM 914 C THR A 66 3.989 -4.903 1.586 1.00 0.00 C ATOM 915 O THR A 66 3.287 -4.569 0.633 1.00 0.00 O ATOM 916 CB THR A 66 4.956 -6.894 2.742 1.00 0.00 C ATOM 917 OG1 THR A 66 5.937 -6.650 1.728 1.00 0.00 O ATOM 918 CG2 THR A 66 4.704 -8.389 2.863 1.00 0.00 C ATOM 0 H THR A 66 3.099 -7.448 0.863 1.00 0.00 H new ATOM 0 HA THR A 66 3.166 -5.842 3.335 1.00 0.00 H new ATOM 0 HB THR A 66 5.325 -6.525 3.699 1.00 0.00 H new ATOM 0 HG1 THR A 66 5.523 -6.740 0.844 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.639 -8.898 3.100 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.980 -8.573 3.657 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.313 -8.770 1.919 1.00 0.00 H new ATOM 926 N GLU A 67 5.067 -4.224 1.964 1.00 0.00 N ATOM 927 CA GLU A 67 5.494 -3.019 1.262 1.00 0.00 C ATOM 928 C GLU A 67 6.083 -3.361 -0.104 1.00 0.00 C ATOM 929 O GLU A 67 6.890 -4.282 -0.230 1.00 0.00 O ATOM 930 CB GLU A 67 6.525 -2.255 2.095 1.00 0.00 C ATOM 931 CG GLU A 67 5.968 -1.001 2.750 1.00 0.00 C ATOM 932 CD GLU A 67 7.057 -0.093 3.287 1.00 0.00 C ATOM 933 OE1 GLU A 67 8.221 -0.245 2.861 1.00 0.00 O ATOM 934 OE2 GLU A 67 6.745 0.771 4.134 1.00 0.00 O ATOM 0 H GLU A 67 5.660 -4.487 2.751 1.00 0.00 H new ATOM 0 HA GLU A 67 4.617 -2.389 1.112 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.917 -2.916 2.868 1.00 0.00 H new ATOM 0 HB3 GLU A 67 7.364 -1.979 1.456 1.00 0.00 H new ATOM 0 HG2 GLU A 67 5.367 -0.452 2.025 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.302 -1.286 3.565 1.00 0.00 H new ATOM 941 N GLY A 68 5.673 -2.612 -1.122 1.00 0.00 N ATOM 942 CA GLY A 68 6.169 -2.848 -2.465 1.00 0.00 C ATOM 943 C GLY A 68 6.393 -4.319 -2.754 1.00 0.00 C ATOM 944 O GLY A 68 7.341 -4.685 -3.450 1.00 0.00 O ATOM 0 H GLY A 68 5.005 -1.845 -1.041 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.459 -2.444 -3.187 1.00 0.00 H new ATOM 0 HA3 GLY A 68 7.106 -2.308 -2.602 1.00 0.00 H new ATOM 948 N SER A 69 5.520 -5.164 -2.219 1.00 0.00 N ATOM 949 CA SER A 69 5.626 -6.603 -2.422 1.00 0.00 C ATOM 950 C SER A 69 4.634 -7.353 -1.538 1.00 0.00 C ATOM 951 O SER A 69 4.102 -6.797 -0.577 1.00 0.00 O ATOM 952 CB SER A 69 7.050 -7.078 -2.126 1.00 0.00 C ATOM 953 OG SER A 69 7.542 -7.898 -3.172 1.00 0.00 O ATOM 0 H SER A 69 4.730 -4.877 -1.641 1.00 0.00 H new ATOM 0 HA SER A 69 5.389 -6.815 -3.464 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.705 -6.216 -1.997 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.064 -7.633 -1.188 1.00 0.00 H new ATOM 0 HG SER A 69 8.454 -8.187 -2.960 1.00 0.00 H new ATOM 959 N TYR A 70 4.392 -8.617 -1.869 1.00 0.00 N ATOM 960 CA TYR A 70 3.464 -9.442 -1.102 1.00 0.00 C ATOM 961 C TYR A 70 4.022 -10.847 -0.907 1.00 0.00 C ATOM 962 O TYR A 70 4.712 -11.378 -1.778 1.00 0.00 O ATOM 963 CB TYR A 70 2.102 -9.487 -1.798 1.00 0.00 C ATOM 964 CG TYR A 70 1.919 -10.652 -2.743 1.00 0.00 C ATOM 965 CD1 TYR A 70 2.393 -10.593 -4.047 1.00 0.00 C ATOM 966 CD2 TYR A 70 1.265 -11.805 -2.334 1.00 0.00 C ATOM 967 CE1 TYR A 70 2.221 -11.653 -4.917 1.00 0.00 C ATOM 968 CE2 TYR A 70 1.089 -12.870 -3.197 1.00 0.00 C ATOM 969 CZ TYR A 70 1.569 -12.788 -4.487 1.00 0.00 C ATOM 970 OH TYR A 70 1.394 -13.846 -5.350 1.00 0.00 O ATOM 0 H TYR A 70 4.824 -9.092 -2.661 1.00 0.00 H new ATOM 0 HA TYR A 70 3.335 -8.996 -0.116 1.00 0.00 H new ATOM 0 HB2 TYR A 70 1.321 -9.526 -1.038 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.961 -8.560 -2.353 1.00 0.00 H new ATOM 0 HD1 TYR A 70 2.904 -9.704 -4.387 1.00 0.00 H new ATOM 0 HD2 TYR A 70 0.887 -11.871 -1.324 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.596 -11.592 -5.928 1.00 0.00 H new ATOM 0 HE2 TYR A 70 0.579 -13.761 -2.863 1.00 0.00 H new ATOM 0 HH TYR A 70 1.377 -14.684 -4.841 1.00 0.00 H new ATOM 980 N ARG A 71 3.731 -11.440 0.247 1.00 0.00 N ATOM 981 CA ARG A 71 4.219 -12.777 0.561 1.00 0.00 C ATOM 982 C ARG A 71 3.085 -13.797 0.581 1.00 0.00 C ATOM 983 O ARG A 71 2.189 -13.728 1.421 1.00 0.00 O ATOM 984 CB ARG A 71 4.936 -12.775 1.912 1.00 0.00 C ATOM 985 CG ARG A 71 5.249 -11.384 2.436 1.00 0.00 C ATOM 986 CD ARG A 71 6.380 -10.735 1.654 1.00 0.00 C ATOM 987 NE ARG A 71 7.678 -10.954 2.284 1.00 0.00 N ATOM 988 CZ ARG A 71 8.831 -10.939 1.623 1.00 0.00 C ATOM 989 NH1 ARG A 71 8.844 -10.715 0.316 1.00 0.00 N ATOM 990 NH2 ARG A 71 9.970 -11.146 2.267 1.00 0.00 N ATOM 0 H ARG A 71 3.161 -11.016 0.979 1.00 0.00 H new ATOM 0 HA ARG A 71 4.920 -13.065 -0.222 1.00 0.00 H new ATOM 0 HB2 ARG A 71 4.318 -13.298 2.642 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.866 -13.337 1.821 1.00 0.00 H new ATOM 0 HG2 ARG A 71 4.357 -10.761 2.372 1.00 0.00 H new ATOM 0 HG3 ARG A 71 5.521 -11.444 3.490 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.397 -11.136 0.641 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.194 -9.664 1.570 1.00 0.00 H new ATOM 0 HE ARG A 71 7.702 -11.128 3.289 1.00 0.00 H new ATOM 0 HH11 ARG A 71 7.969 -10.554 -0.183 1.00 0.00 H new ATOM 0 HH12 ARG A 71 9.729 -10.704 -0.191 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.963 -11.317 3.272 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.853 -11.134 1.757 1.00 0.00 H new ATOM 1004 N CYS A 72 3.142 -14.751 -0.341 1.00 0.00 N ATOM 1005 CA CYS A 72 2.131 -15.797 -0.426 1.00 0.00 C ATOM 1006 C CYS A 72 2.547 -16.997 0.424 1.00 0.00 C ATOM 1007 O CYS A 72 3.694 -17.440 0.365 1.00 0.00 O ATOM 1008 CB CYS A 72 1.932 -16.217 -1.887 1.00 0.00 C ATOM 1009 SG CYS A 72 0.205 -16.583 -2.355 1.00 0.00 S ATOM 0 H CYS A 72 3.880 -14.821 -1.042 1.00 0.00 H new ATOM 0 HA CYS A 72 1.186 -15.411 -0.044 1.00 0.00 H new ATOM 0 HB2 CYS A 72 2.307 -15.423 -2.532 1.00 0.00 H new ATOM 0 HB3 CYS A 72 2.541 -17.100 -2.082 1.00 0.00 H new ATOM 1014 N GLU A 73 1.617 -17.506 1.230 1.00 0.00 N ATOM 1015 CA GLU A 73 1.905 -18.637 2.107 1.00 0.00 C ATOM 1016 C GLU A 73 0.824 -19.714 2.019 1.00 0.00 C ATOM 1017 O GLU A 73 -0.346 -19.456 2.297 1.00 0.00 O ATOM 1018 CB GLU A 73 2.031 -18.149 3.548 1.00 0.00 C ATOM 1019 CG GLU A 73 3.282 -18.647 4.251 1.00 0.00 C ATOM 1020 CD GLU A 73 4.555 -18.105 3.631 1.00 0.00 C ATOM 1021 OE1 GLU A 73 4.654 -18.096 2.387 1.00 0.00 O ATOM 1022 OE2 GLU A 73 5.453 -17.687 4.392 1.00 0.00 O ATOM 0 H GLU A 73 0.662 -17.154 1.293 1.00 0.00 H new ATOM 0 HA GLU A 73 2.845 -19.083 1.780 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.030 -17.059 3.555 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.155 -18.472 4.110 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.243 -18.359 5.302 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.302 -19.736 4.220 1.00 0.00 H new ATOM 1029 N CYS A 74 1.227 -20.924 1.636 1.00 0.00 N ATOM 1030 CA CYS A 74 0.295 -22.037 1.519 1.00 0.00 C ATOM 1031 C CYS A 74 -0.072 -22.623 2.888 1.00 0.00 C ATOM 1032 O CYS A 74 -1.185 -23.117 3.073 1.00 0.00 O ATOM 1033 CB CYS A 74 0.874 -23.132 0.618 1.00 0.00 C ATOM 1034 SG CYS A 74 -0.104 -23.464 -0.886 1.00 0.00 S ATOM 0 H CYS A 74 2.192 -21.156 1.402 1.00 0.00 H new ATOM 0 HA CYS A 74 -0.618 -21.647 1.068 1.00 0.00 H new ATOM 0 HB2 CYS A 74 1.884 -22.848 0.324 1.00 0.00 H new ATOM 0 HB3 CYS A 74 0.957 -24.054 1.194 1.00 0.00 H new ATOM 1039 N PRO A 75 0.862 -22.602 3.870 1.00 0.00 N ATOM 1040 CA PRO A 75 2.210 -22.027 3.710 1.00 0.00 C ATOM 1041 C PRO A 75 3.059 -22.791 2.698 1.00 0.00 C ATOM 1042 O PRO A 75 2.682 -23.871 2.244 1.00 0.00 O ATOM 1043 CB PRO A 75 2.825 -22.149 5.115 1.00 0.00 C ATOM 1044 CG PRO A 75 1.665 -22.358 6.029 1.00 0.00 C ATOM 1045 CD PRO A 75 0.657 -23.121 5.227 1.00 0.00 C ATOM 0 HA PRO A 75 2.166 -21.005 3.332 1.00 0.00 H new ATOM 0 HB2 PRO A 75 3.524 -22.983 5.168 1.00 0.00 H new ATOM 0 HB3 PRO A 75 3.380 -21.250 5.382 1.00 0.00 H new ATOM 0 HG2 PRO A 75 1.961 -22.914 6.918 1.00 0.00 H new ATOM 0 HG3 PRO A 75 1.257 -21.406 6.369 1.00 0.00 H new ATOM 0 HD2 PRO A 75 0.828 -24.196 5.279 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -0.359 -22.943 5.579 1.00 0.00 H new ATOM 1053 N PRO A 76 4.238 -22.244 2.361 1.00 0.00 N ATOM 1054 CA PRO A 76 5.162 -22.868 1.420 1.00 0.00 C ATOM 1055 C PRO A 76 5.186 -24.387 1.530 1.00 0.00 C ATOM 1056 O PRO A 76 5.463 -25.079 0.551 1.00 0.00 O ATOM 1057 CB PRO A 76 6.504 -22.274 1.836 1.00 0.00 C ATOM 1058 CG PRO A 76 6.170 -20.906 2.330 1.00 0.00 C ATOM 1059 CD PRO A 76 4.769 -20.976 2.891 1.00 0.00 C ATOM 0 HA PRO A 76 4.887 -22.679 0.382 1.00 0.00 H new ATOM 0 HB2 PRO A 76 6.979 -22.872 2.614 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.198 -22.234 0.996 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.878 -20.588 3.095 1.00 0.00 H new ATOM 0 HG3 PRO A 76 6.227 -20.178 1.521 1.00 0.00 H new ATOM 0 HD2 PRO A 76 4.774 -20.970 3.981 1.00 0.00 H new ATOM 0 HD3 PRO A 76 4.167 -20.126 2.570 1.00 0.00 H new ATOM 1067 N GLY A 77 4.886 -24.904 2.721 1.00 0.00 N ATOM 1068 CA GLY A 77 4.873 -26.344 2.912 1.00 0.00 C ATOM 1069 C GLY A 77 4.328 -27.056 1.693 1.00 0.00 C ATOM 1070 O GLY A 77 4.727 -28.178 1.381 1.00 0.00 O ATOM 0 H GLY A 77 4.654 -24.356 3.549 1.00 0.00 H new ATOM 0 HA2 GLY A 77 5.884 -26.695 3.119 1.00 0.00 H new ATOM 0 HA3 GLY A 77 4.266 -26.592 3.782 1.00 0.00 H new ATOM 1074 N HIS A 78 3.421 -26.381 0.997 1.00 0.00 N ATOM 1075 CA HIS A 78 2.813 -26.915 -0.210 1.00 0.00 C ATOM 1076 C HIS A 78 3.630 -26.491 -1.438 1.00 0.00 C ATOM 1077 O HIS A 78 4.848 -26.676 -1.461 1.00 0.00 O ATOM 1078 CB HIS A 78 1.365 -26.426 -0.303 1.00 0.00 C ATOM 1079 CG HIS A 78 0.453 -27.376 -1.018 1.00 0.00 C ATOM 1080 ND1 HIS A 78 0.895 -28.540 -1.612 1.00 0.00 N ATOM 1081 CD2 HIS A 78 -0.883 -27.330 -1.233 1.00 0.00 C ATOM 1082 CE1 HIS A 78 -0.129 -29.168 -2.161 1.00 0.00 C ATOM 1083 NE2 HIS A 78 -1.219 -28.455 -1.945 1.00 0.00 N ATOM 0 H HIS A 78 3.089 -25.452 1.254 1.00 0.00 H new ATOM 0 HA HIS A 78 2.807 -28.004 -0.176 1.00 0.00 H new ATOM 0 HB2 HIS A 78 0.982 -26.257 0.704 1.00 0.00 H new ATOM 0 HB3 HIS A 78 1.348 -25.464 -0.816 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -1.558 -26.553 -0.906 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -0.083 -30.105 -2.696 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -2.159 -28.700 -2.257 1.00 0.00 H new ATOM 1092 N GLN A 79 2.981 -25.911 -2.449 1.00 0.00 N ATOM 1093 CA GLN A 79 3.682 -25.462 -3.643 1.00 0.00 C ATOM 1094 C GLN A 79 3.104 -24.131 -4.105 1.00 0.00 C ATOM 1095 O GLN A 79 2.499 -24.035 -5.172 1.00 0.00 O ATOM 1096 CB GLN A 79 3.571 -26.504 -4.758 1.00 0.00 C ATOM 1097 CG GLN A 79 4.898 -27.151 -5.118 1.00 0.00 C ATOM 1098 CD GLN A 79 5.255 -26.971 -6.581 1.00 0.00 C ATOM 1099 OE1 GLN A 79 4.250 -27.032 -7.447 1.00 0.00 O flip ATOM 1100 NE2 GLN A 79 6.420 -26.776 -6.928 1.00 0.00 N flip ATOM 0 H GLN A 79 1.975 -25.744 -2.461 1.00 0.00 H new ATOM 0 HA GLN A 79 4.737 -25.332 -3.404 1.00 0.00 H new ATOM 0 HB2 GLN A 79 2.869 -27.280 -4.451 1.00 0.00 H new ATOM 0 HB3 GLN A 79 3.154 -26.030 -5.647 1.00 0.00 H new ATOM 0 HG2 GLN A 79 5.687 -26.723 -4.500 1.00 0.00 H new ATOM 0 HG3 GLN A 79 4.854 -28.215 -4.886 1.00 0.00 H new ATOM 0 HE21 GLN A 79 7.161 -26.737 -6.228 1.00 0.00 H new ATOM 0 HE22 GLN A 79 6.644 -26.654 -7.915 1.00 0.00 H new ATOM 1109 N LEU A 80 3.281 -23.110 -3.273 1.00 0.00 N ATOM 1110 CA LEU A 80 2.764 -21.781 -3.566 1.00 0.00 C ATOM 1111 C LEU A 80 3.778 -20.948 -4.339 1.00 0.00 C ATOM 1112 O LEU A 80 4.943 -20.850 -3.955 1.00 0.00 O ATOM 1113 CB LEU A 80 2.388 -21.077 -2.261 1.00 0.00 C ATOM 1114 CG LEU A 80 1.961 -19.612 -2.388 1.00 0.00 C ATOM 1115 CD1 LEU A 80 1.435 -19.308 -3.783 1.00 0.00 C ATOM 1116 CD2 LEU A 80 0.908 -19.285 -1.341 1.00 0.00 C ATOM 0 H LEU A 80 3.781 -23.180 -2.387 1.00 0.00 H new ATOM 0 HA LEU A 80 1.878 -21.889 -4.191 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.575 -21.632 -1.793 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.241 -21.129 -1.584 1.00 0.00 H new ATOM 0 HG LEU A 80 2.838 -18.986 -2.220 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.140 -18.260 -3.840 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.216 -19.506 -4.517 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.572 -19.940 -3.992 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.610 -18.241 -1.438 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.038 -19.926 -1.487 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.320 -19.453 -0.346 1.00 0.00 H new ATOM 1128 N SER A 81 3.320 -20.348 -5.429 1.00 0.00 N ATOM 1129 CA SER A 81 4.176 -19.516 -6.263 1.00 0.00 C ATOM 1130 C SER A 81 4.718 -18.330 -5.473 1.00 0.00 C ATOM 1131 O SER A 81 3.979 -17.666 -4.746 1.00 0.00 O ATOM 1132 CB SER A 81 3.395 -19.016 -7.477 1.00 0.00 C ATOM 1133 OG SER A 81 2.000 -19.169 -7.284 1.00 0.00 O ATOM 0 H SER A 81 2.357 -20.422 -5.757 1.00 0.00 H new ATOM 0 HA SER A 81 5.018 -20.121 -6.599 1.00 0.00 H new ATOM 0 HB2 SER A 81 3.628 -17.966 -7.656 1.00 0.00 H new ATOM 0 HB3 SER A 81 3.705 -19.567 -8.365 1.00 0.00 H new ATOM 0 HG SER A 81 1.522 -18.840 -8.074 1.00 0.00 H new ATOM 1139 N PRO A 82 6.021 -18.049 -5.609 1.00 0.00 N ATOM 1140 CA PRO A 82 6.668 -16.936 -4.910 1.00 0.00 C ATOM 1141 C PRO A 82 5.907 -15.625 -5.072 1.00 0.00 C ATOM 1142 O PRO A 82 5.569 -14.967 -4.089 1.00 0.00 O ATOM 1143 CB PRO A 82 8.038 -16.844 -5.583 1.00 0.00 C ATOM 1144 CG PRO A 82 8.304 -18.220 -6.088 1.00 0.00 C ATOM 1145 CD PRO A 82 6.964 -18.796 -6.461 1.00 0.00 C ATOM 0 HA PRO A 82 6.715 -17.105 -3.834 1.00 0.00 H new ATOM 0 HB2 PRO A 82 8.032 -16.118 -6.396 1.00 0.00 H new ATOM 0 HB3 PRO A 82 8.805 -16.526 -4.877 1.00 0.00 H new ATOM 0 HG2 PRO A 82 8.971 -18.196 -6.950 1.00 0.00 H new ATOM 0 HG3 PRO A 82 8.790 -18.828 -5.325 1.00 0.00 H new ATOM 0 HD2 PRO A 82 6.747 -18.655 -7.520 1.00 0.00 H new ATOM 0 HD3 PRO A 82 6.919 -19.868 -6.266 1.00 0.00 H new ATOM 1153 N ASN A 83 5.643 -15.249 -6.320 1.00 0.00 N ATOM 1154 CA ASN A 83 4.925 -14.012 -6.605 1.00 0.00 C ATOM 1155 C ASN A 83 4.082 -14.141 -7.870 1.00 0.00 C ATOM 1156 O ASN A 83 3.765 -13.145 -8.519 1.00 0.00 O ATOM 1157 CB ASN A 83 5.909 -12.851 -6.752 1.00 0.00 C ATOM 1158 CG ASN A 83 6.375 -12.321 -5.412 1.00 0.00 C ATOM 1159 OD1 ASN A 83 7.573 -12.164 -5.176 1.00 0.00 O ATOM 1160 ND2 ASN A 83 5.427 -12.042 -4.526 1.00 0.00 N ATOM 0 H ASN A 83 5.914 -15.781 -7.147 1.00 0.00 H new ATOM 0 HA ASN A 83 4.256 -13.813 -5.768 1.00 0.00 H new ATOM 0 HB2 ASN A 83 6.772 -13.180 -7.330 1.00 0.00 H new ATOM 0 HB3 ASN A 83 5.436 -12.046 -7.315 1.00 0.00 H new ATOM 0 HD21 ASN A 83 5.679 -11.682 -3.606 1.00 0.00 H new ATOM 0 HD22 ASN A 83 4.446 -12.188 -4.765 1.00 0.00 H new ATOM 1167 N ILE A 84 3.714 -15.371 -8.213 1.00 0.00 N ATOM 1168 CA ILE A 84 2.900 -15.617 -9.396 1.00 0.00 C ATOM 1169 C ILE A 84 1.419 -15.615 -9.036 1.00 0.00 C ATOM 1170 O ILE A 84 0.557 -15.467 -9.902 1.00 0.00 O ATOM 1171 CB ILE A 84 3.261 -16.954 -10.073 1.00 0.00 C ATOM 1172 CG1 ILE A 84 4.754 -16.998 -10.412 1.00 0.00 C ATOM 1173 CG2 ILE A 84 2.423 -17.154 -11.328 1.00 0.00 C ATOM 1174 CD1 ILE A 84 5.659 -16.873 -9.204 1.00 0.00 C ATOM 0 H ILE A 84 3.966 -16.210 -7.690 1.00 0.00 H new ATOM 0 HA ILE A 84 3.107 -14.811 -10.100 1.00 0.00 H new ATOM 0 HB ILE A 84 3.043 -17.765 -9.378 1.00 0.00 H new ATOM 0 HG12 ILE A 84 4.973 -17.935 -10.923 1.00 0.00 H new ATOM 0 HG13 ILE A 84 4.982 -16.193 -11.110 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.689 -18.102 -11.796 1.00 0.00 H new ATOM 0 HG22 ILE A 84 1.366 -17.164 -11.062 1.00 0.00 H new ATOM 0 HG23 ILE A 84 2.613 -16.339 -12.026 1.00 0.00 H new ATOM 0 HD11 ILE A 84 6.700 -16.913 -9.524 1.00 0.00 H new ATOM 0 HD12 ILE A 84 5.469 -15.923 -8.704 1.00 0.00 H new ATOM 0 HD13 ILE A 84 5.460 -17.693 -8.514 1.00 0.00 H new ATOM 1186 N SER A 85 1.137 -15.763 -7.745 1.00 0.00 N ATOM 1187 CA SER A 85 -0.234 -15.760 -7.252 1.00 0.00 C ATOM 1188 C SER A 85 -0.976 -17.046 -7.614 1.00 0.00 C ATOM 1189 O SER A 85 -1.621 -17.122 -8.661 1.00 0.00 O ATOM 1190 CB SER A 85 -0.986 -14.550 -7.812 1.00 0.00 C ATOM 1191 OG SER A 85 -2.269 -14.918 -8.288 1.00 0.00 O ATOM 0 H SER A 85 1.844 -15.887 -7.020 1.00 0.00 H new ATOM 0 HA SER A 85 -0.193 -15.699 -6.165 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.087 -13.791 -7.036 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.409 -14.103 -8.622 1.00 0.00 H new ATOM 0 HG SER A 85 -2.173 -15.535 -9.043 1.00 0.00 H new ATOM 1197 N ALA A 86 -0.892 -18.050 -6.736 1.00 0.00 N ATOM 1198 CA ALA A 86 -1.573 -19.325 -6.963 1.00 0.00 C ATOM 1199 C ALA A 86 -0.920 -20.468 -6.189 1.00 0.00 C ATOM 1200 O ALA A 86 0.077 -21.041 -6.632 1.00 0.00 O ATOM 1201 CB ALA A 86 -1.604 -19.655 -8.447 1.00 0.00 C ATOM 0 H ALA A 86 -0.362 -18.004 -5.866 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.593 -19.215 -6.596 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.114 -20.606 -8.598 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.136 -18.869 -8.983 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -0.584 -19.726 -8.825 1.00 0.00 H new ATOM 1207 N CYS A 87 -1.500 -20.812 -5.041 1.00 0.00 N ATOM 1208 CA CYS A 87 -0.988 -21.905 -4.220 1.00 0.00 C ATOM 1209 C CYS A 87 -1.042 -23.217 -4.998 1.00 0.00 C ATOM 1210 O CYS A 87 -1.891 -23.388 -5.872 1.00 0.00 O ATOM 1211 CB CYS A 87 -1.811 -22.027 -2.935 1.00 0.00 C ATOM 1212 SG CYS A 87 -0.881 -21.664 -1.412 1.00 0.00 S ATOM 0 H CYS A 87 -2.325 -20.349 -4.659 1.00 0.00 H new ATOM 0 HA CYS A 87 0.048 -21.691 -3.959 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -2.662 -21.349 -2.997 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -2.213 -23.038 -2.869 1.00 0.00 H new ATOM 1217 N ILE A 88 -0.140 -24.143 -4.682 1.00 0.00 N ATOM 1218 CA ILE A 88 -0.112 -25.429 -5.370 1.00 0.00 C ATOM 1219 C ILE A 88 0.564 -26.496 -4.519 1.00 0.00 C ATOM 1220 O ILE A 88 0.907 -27.562 -5.071 1.00 0.00 O ATOM 1221 CB ILE A 88 0.615 -25.329 -6.725 1.00 0.00 C ATOM 1222 CG1 ILE A 88 0.600 -23.887 -7.236 1.00 0.00 C ATOM 1223 CG2 ILE A 88 -0.027 -26.263 -7.739 1.00 0.00 C ATOM 1224 CD1 ILE A 88 1.311 -23.709 -8.560 1.00 0.00 C ATOM 1225 OXT ILE A 88 0.742 -26.257 -3.307 1.00 0.00 O ATOM 0 H ILE A 88 0.573 -24.028 -3.962 1.00 0.00 H new ATOM 0 HA ILE A 88 -1.150 -25.714 -5.545 1.00 0.00 H new ATOM 0 HB ILE A 88 1.653 -25.632 -6.586 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.434 -23.558 -7.340 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.067 -23.241 -6.492 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.497 -26.182 -8.691 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.034 -27.290 -7.378 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.073 -25.988 -7.876 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.261 -22.663 -8.862 1.00 0.00 H new ATOM 0 HD12 ILE A 88 2.354 -24.007 -8.456 1.00 0.00 H new ATOM 0 HD13 ILE A 88 0.830 -24.328 -9.317 1.00 0.00 H new